Mrv0541 02231214462D          

  5  4  0  0  0  0            999 V2000
    2.0930    0.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.3630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00551

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(=O)NO

> <INCHI_IDENTIFIER>
InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)

> <INCHI_KEY>
RRUDCFGSUDOHDG-UHFFFAOYSA-N

> <FORMULA>
C2H5NO2

> <MOLECULAR_WEIGHT>
75.0666

> <EXACT_MASS>
75.032028409

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.011260561829470914

> <JCHEM_AVERAGE_POLARIZABILITY>
6.6037456858799475

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-hydroxyacetamide

> <ALOGPS_LOGP>
-1.46

> <JCHEM_LOGP>
-1.0334700553333331

> <ALOGPS_LOGS>
0.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.377702380221294

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.943521799436219

> <JCHEM_PKA_STRONGEST_BASIC>
-5.447093399828363

> <JCHEM_POLAR_SURFACE_AREA>
49.33

> <JCHEM_REFRACTIVITY>
16.2305

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.09e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00551

> <SECONDARY_ACCESSION_NUMBERS>
APRD00774; EXPT01688

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Acetohydroxamic acid

> <SYNONYMS>
Acethydroxamsaeure; Acetic acid, oxime; Acetohydroxamate; Acetohydroxamic acid; Acetohydroximic acid; Acetyl hydroxyamino; Acetylhydroxamic acid; Acide acetohydroxamique; Acido acetohidroxamico; Acidum acetohydroxamicum; AHA; Cetohyroxamic acid; Methylhydroxamic acid; N-Acetyl hydroxyacetamide; N-Acetylhydroxylamine; N-Hydroxyacetamide

> <PRODUCTS>
Lithostat

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