Mrv1718012131811532D          

 20 19  0  0  0  0            999 V2000
   -2.1438    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1438   -0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8582    0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8582   -1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5727    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5727   -0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7148    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7148   -0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292    0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292   -1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141   -0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003   -1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1431    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4286    0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4286   -1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8570    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8570    1.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 16 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <DATABASE_ID>
DB03193

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCCCCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)

> <INCHI_KEY>
QIQXTHQIDYTFRH-UHFFFAOYSA-N

> <FORMULA>
C18H36O2

> <MOLECULAR_WEIGHT>
284.4772

> <EXACT_MASS>
284.271530396

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
38.635591048723384

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octadecanoic acid

> <ALOGPS_LOGP>
8.02

> <JCHEM_LOGP>
7.145720107666667

> <ALOGPS_LOGS>
-6.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019655228562

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
86.28559999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.61e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
stearic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB03193

> <SECONDARY_ACCESSION_NUMBERS>
EXPT02965

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Stearic acid

> <SYNONYMS>
Acide octadécanoïque; Acide stéarique; C18:0; n-octadecanoic acid; Octadecanoic acid; Octadecansäure; Octadecoic acid; Oktadekansäure; Stearic acid; Stearinsäure

> <PRODUCTS>
Cellbn First Care Cleanser; Doctor Plus; Dr. G Pore Deep Clearing Foam; Dr.g A-clear Foam; Dr.g Hyper Brightening Cleansing Foam; Dr.g Red-blemish Moisture Cleansing Foam; For Sope; Huile D'onagre Vitamin E; Isa Knox Ageless Serum Makeup Base 10; Isaknox Ageless Serum Moist Pearl Base; Jayjun Anti Dust Fresh Foam Cleanser; Jayjun New Real Water Brightening Black Mask Step 01 Real Water Shining Vita Cleansing Foa M; Jayjun Real Water Brightening Black Mask Step 01 Real Water Cleansing Foa M; Jayjun Real Water Shining Cleansing Foa M; Jayjun Real Water Shining Vita Cleansing Foa M; Jinhwagwangsu Bubble; Jinhwagwangsu Hair; K Oxiderm OP Post Procedure skin care bruise; K Oxiderm Op; Medi Hydro DP BB Cream; O Hui Veil Fit Dual Foundation 10; O Hui Veil Fit Dual Foundation 20; O Hui Veil Fit Dual Foundation 30; Obeo Baby Bubble; Recovery; Sha-lem; Sooryehan Onbit Essence Foundation 23; Sooryehan Onbit Essence Foundation 25; Sooryehan Onbit Lifting Base; W Lab Black Kill Pore Cleaner; Zenol Powerfulx Recoverycream

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