Acetic acid.mol
  Mrv0541 02231218182D          

  4  3  0  0  0  0            999 V2000
    0.0074   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096    0.6669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -0.6669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
M  END
> <DATABASE_ID>
DB03166

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

> <INCHI_KEY>
QTBSBXVTEAMEQO-UHFFFAOYSA-N

> <FORMULA>
C2H4O2

> <MOLECULAR_WEIGHT>
60.052

> <EXACT_MASS>
60.021129372

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.9965172324271198

> <JCHEM_AVERAGE_POLARIZABILITY>
5.338057886014139

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
acetic acid

> <ALOGPS_LOGP>
-0.12

> <JCHEM_LOGP>
-0.2233457143333334

> <ALOGPS_LOGS>
0.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.543439679000835

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
12.643699999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.23e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB03166

> <SECONDARY_ACCESSION_NUMBERS>
EXPT00423; DB04184

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Acetic acid

> <SYNONYMS>
Acetic acid; Acetic acid, glacial; Aceticum acidum; acide acétique; ácido acético; Essigsäure; Ethanoat; Ethanoate; Ethanoic acid; Ethoic acid; Ethylic acid; Glacial acetic acid; HOAc; Methanecarboxylic acid; Vinegar

> <PRODUCTS>
Acetasol HC; Acetic Acid; Acid Concentrate (r04146); Acid Concentrate (r04938); Acid Concentrate (r04968); Acid Concentrate (r04969); Acid Concentrate (r04974); Acid Concentrate (r04975); Acid Concentrate (r04976); Acid Concentrate (r04981); Acid Concentrate (r04984); Acid Concentrate (ro4147); Acid Concentrate (ro4148); Acid Concentrate (ro9503); Acid Concentrate (rz262c); Acid Concentrate (rz271c); Acid Concentrate (rz272c); Acid Concentrate (rz274c); Acid Concentrate (rz275c); Acid Concentrate 2100; Acid Concentrate 2101; Acid Concentrate 2102; Acid Concentrate 2105; Acid Concentrate 2106; Acid Concentrate 2109; Acid Concentrate 2112; Acid Concentrate 2113; Acid Concentrate 2116; Acid Concentrate 2117; Acid Concentrate 2119; Acid Concentrate 2120; Acid Concentrate 2121; Acid Concentrate 2122; Acid Concentrate 2123; Acid Concentrate 2125; Acid Concentrate 2126; Acid Concentrate 2128; Acid Concentrate 2129; Acid Concentrate 2131; Acid Concentrate 2132; Acid Concentrate 2135; Acid Concentrate 2139; Acid Concentrate 2147; Acid Concentrate 2148; Acid Concentrate 2151; Acid Concentrate 2152; Acid Concentrate 2155; Acid Concentrate 2156; Acid Concentrate 2161; Acid Concentrate 2162; Acid Concentrate 2163; Acid Concentrate 2165; Acid Concentrate 2166; Acid Concentrate 2168; Acid Concentrate 2171; Acid Concentrate 2175; Acid Concentrate 2182; Acid Concentrate 2185; Acid Concentrate 2186; Acid Concentrate 2187; Acid Concentrate 2189; Acid Concentrate 2190; Acid Concentrate 2195; Acid Concentrate 2196; Acid Concentrate 2198; Acid Concentrate 3186; Acid Concentrate 3187; Acid Concentrate A1220; Acid Concentrate A1221; Acid Concentrate A1222; Acid Concentrate A1223; Acid Concentrate A1224; Acid Concentrate A1225; Acid Concentrate A1226; Acid Concentrate A1227; Acid Concentrate A1228; Acid Concentrate A1229; Acid Concentrate A1230; Acid Concentrate A1231; Acid Concentrate A1241; Acid Concentrate A1242; Acid Concentrate A1243; Acid Concentrate A1245; Acid Concentrate A1246; Acid Concentrate A1251; Acid Concentrate A1252; Acid Concentrate A1253; Acid Concentrate A1255; Acid Concentrate A1261; Acid Concentrate A1262; Acid Concentrate A1263; Acid Concentrate A1264; Acid Concentrate A1265; Acid Concentrate A1266; Acid Concentrate A1267; Acid Concentrate A1268; Acid Concentrate A1269; Acid Concentrate A1270; Acid Concentrate A1271; Acid Concentrate A1272; Acid Concentrate A1273; Acid Concentrate A1274; Acid Concentrate A1275; Acid Concentrate A1276; Acid Concentrate A1277; Acid Concentrate A1278; Acid Concentrate A1279; Acid Concentrate A1280; Acid Concentrate A1294; Acid Concentrate A1295; Acid Concentrate A1296; Acid Concentrate A1297; Acid Concentrate A1298; Acid Concentrate Bp Ro4151; Acid Concentrate Bp Ro9505; Acid Concentrate Bp Ro9506; Acid Concentrate Bp Ro9507; Acid Concentrate Bp Rz267c; Acid Concentrate Bp Rz278c; Acid Concentrate Bp Rz279c; Acid Concentrate D 12219 Liq; Acid Concentrate D-12287; Acid Concentrate D-18003; Acid Concentrate D-18006; Acid Concentrate D12028; Acid Concentrate D12054; Acid Concentrate D12067; Acid Concentrate D12091; Acid Concentrate D12092; Acid Concentrate D12093; Acid Concentrate D12094; Acid Concentrate D12095; Acid Concentrate D12112; Acid Concentrate D12117; Acid Concentrate D12119; Acid Concentrate D12132; Acid Concentrate D12135; Acid Concentrate D12143; Acid Concentrate D12146; Acid Concentrate D12150; Acid Concentrate D12167; Acid Concentrate D12184; Acid Concentrate D12185; Acid Concentrate D12186; Acid Concentrate D12187; Acid Concentrate D12188; Acid Concentrate D12196; Acid Concentrate D12197; Acid Concentrate D12200; Acid Concentrate D12201; Acid Concentrate D12203; Acid Concentrate D12204; Acid Concentrate D12205; Acid Concentrate D12207; Acid Concentrate D12209; Acid Concentrate D12220; Acid Concentrate D12221; Acid Concentrate D12225; Acid Concentrate D12236; Acid Concentrate D12247; Acid Concentrate D12248; Acid Concentrate D12249; Acid Concentrate D12250; Acid Concentrate D12251; Acid Concentrate D12252; Acid Concentrate D12255; Acid Concentrate D12259; Acid Concentrate D12260; Acid Concentrate D12261; Acid Concentrate D12262; Acid Concentrate D12263; Acid Concentrate D12264; Acid Concentrate D12265; Acid Concentrate D12266; Acid Concentrate D12267; Acid Concentrate D12268; Acid Concentrate D12269; Acid Concentrate D12270; Acid Concentrate D12271; Acid Concentrate D12272; Acid Concentrate D12273; Acid Concentrate D12274; Acid Concentrate D12275; Acid Concentrate D12282; Acid Concentrate D12284; Acid Concentrate D12285; Acid Concentrate D12286; Acid Concentrate D12290; Acid Concentrate D12291; Acid Concentrate D12292; Acid Concentrate D12293; Acid Concentrate D12294; Acid Concentrate D12299; Acid Concentrate D12300; Acid Concentrate D12301; Acid Concentrate D12302; Acid Concentrate D12303; Acid Concentrate D12304; Acid Concentrate D12305; Acid Concentrate D12306; Acid Concentrate D12308; Acid Concentrate D12309; Acid Concentrate D12311; Acid Concentrate D12315; Acid Concentrate D12316; Acid Concentrate D12318; Acid Concentrate D12319; Acid Concentrate D13001; Acid Concentrate D18000; Acid Concentrate D18001; Acid Concentrate D18008; Acid Concentrate D18009; Acid Concentrate Ro4131; Acid Concentrate Ro4132; Acid Concentrate Ro4136; Acid Concentrate Ro4137; Acid Concentrate Ro4138; Acid Concentrate Ro4144; Acid Concentrate Ro4145; Acid Concentrate Ro4947; Acid Concentrate Ro4965; Acid Concentrate Ro4979; Acid Concentrate Ro4983; Acid Concentrate Ro9500; Acid Concentrate Ro9501; Acid Concentrate Ro9502; Acid Concentrate Rx252c; Acid Concentrate Rx253c; Acid Concentrate Rz110c; Acid Concentrate Rz111c; Acid Concentrate Rz119c; Acid Concentrate Rz123c; Acid Concentrate Rz127c; Acid Concentrate Rz144c; Acid Concentrate Rz150c; Acid Concentrate Rz153c; Acid Concentrate Rz164c; Acid Concentrate Rz167c; Acid Concentrate Rz171c; Acid Concentrate Rz183c; Acid Concentrate Rz185c; Acid Concentrate Rz186c; Acid Concentrate Rz194c; Acid Concentrate Rz195c; Acid Concentrate Rz196c; Acid Concentrate Rz198c; Acid Concentrate Rz202c; Acid Concentrate Rz203c; Acid Concentrate Rz205c; Acid Concentrate Rz206c; Acid Concentrate Rz207c; Acid Concentrate Rz208c; Acid Concentrate Rz209c; Acid Concentrate Rz210c; Acid Concentrate Rz211c; Acid Concentrate Rz212c; Acid Concentrate Rz213c; Acid Concentrate Rz247c; Acid Concentrate Rz248c; Acid Concentrate Rz249c; Acid Concentrate Rz254c; Acid Concentrate Rz264c; Acid Concentrate Rz265c; Acid Concentrate(36.83x) R04900; Acid Concentrate(36.83x) R04906; Acid Concentrate-r04948 Liq; Acid Conentrate (r04930); Acid Hemodialysis Conc Sb 1003; Bicarb Hemodial Conc 36.83; Bicarb Hemodial Conc 36.83x Acid; Bicarbolyte Bicar Hemodialsis Conc; Bicarbolyte Bicar Hemodialysis Conc; Borofair; Concentrated Haemodialysis Solution Bp-rz266c; Concentrated Haemodialysis Solution Bp-rz270c; Concentrated Haemodialysis Solution Bp-rz273c; D12230 Liq; Fem pH; H-629; H-700; H-701; H-702; H-706; H-710; H.E.L.P. Acetate Buffer Ph 4.85; Haemosol H-200; Haemosol H-201; Haemosol H-202; Haemosol H-206; Haemosol H-207; Haemosol H-208; Haemosol H-223; Haemosol H-224; Haemosol H-225; Haemosol H-226; Haemosol H-227; Haemosol H-228; Haemosol H-229; Haemosol H-230; Haemosol H-232; Haemosol H-250; Haemosol H-251; Haemosol H-252; Haemosol H-253; Haemosol H-254; Haemosol H-260; Haemosol H-320; Haemosol H-321; Haemosol H-330; Haemosol H-331; Haemosol H-332; Haemosol H-400; Haemosol H-401; Haemosol H-402; Haemosol H-404; Haemosol H-407; Haemosol H-408; Haemosol H-410; Haemosol H-601; Haemosol H-602; Haemosol H-608; Haemosol H-615; Haemosol H-616; Haemosol H-617; Haemosol H-623; Haemosol H-624; Haemosol H-625; Haemosol H-630; Haemosol H-631; Haemosol H-661; Haemosol H-690; Hydrocortisone and Acetic Acid; ICEKING Skin Expert Anti-onychomycosis Gel; K1 Liq R04911; K1 Liq R04978; K2 Liq R04902; K2 With Glucose Liq R04977; Naturalyte H-200; Naturalyte H-201; Naturalyte H-202; Naturalyte H-206; Naturalyte H-208; Naturalyte H-223; Naturalyte H-224; Naturalyte H-225; Naturalyte H-226; Naturalyte H-227; Naturalyte H-228; Naturalyte H-229; Naturalyte H-230; Naturalyte H-232; Naturalyte H-251; Naturalyte H-252; Naturalyte H-260; Naturalyte H-320; Naturalyte H-321; Naturalyte H-330; Naturalyte H-331; Naturalyte H-332; Naturalyte H-400; Naturalyte H-401; Naturalyte H-402; Naturalyte H-407; Naturalyte H-408; Naturalyte H-410; Naturalyte H-602; Naturalyte H-608; Naturalyte H-615; Naturalyte H-616; Naturalyte H-617; Naturalyte H-623; Naturalyte H-624; Naturalyte H-625; Naturalyte H-630; Naturalyte H-631; Naturalyte H-661; Naturalyte H-690; Naturalyte H-702; Naturalyte H-706; New CleanFlex; Otic Edge; R04903 Liq; R04909 Liq; R04919 Liq; R04922 Liq; R04931 Liq; R04936 Liq; R04945 Liq; R04946 Liq; R04972 Liq; R04973 Liq; Relegard; Sb 1000; Sb 1004; Sb 1005; Sb 1006; Sb-110; Sb-111; Sb-119; Sb-123; Sb-127; Sb-131; Sb-132; Selectbag One (ax050g); Selectbag One (ax125g); Selectbag One (ax150g); Selectbag One (ax200g); Selectbag One (ax225g); Selectbag One (ax250g); Selectbag One (ax2525g); Selectbag One (ax2550g); Selectbag One (ax275g); Selectbag One (ax325g); Selectbag One (ax350g); Selectbag One (ax450g); Star-otic Solution; Tqm Acid Concentrate A1280; Treagan Otic; Vivia Acid; VoSoL

> <INTERNATIONAL_BRANDS>
Orlex

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