Mrv1652307171819512D          

 22 21  0  0  0  0            999 V2000
    2.2836   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1427   -0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8572   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5717   -0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2862   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0006   -0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7151   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4296   -0.9059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7151   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138   -3.3809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1427   -2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0062582

> <DATABASE_NAME>
bmdb

> <SMILES>
[H]\C(CCCCCCCCC)=C(/[H])CCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H,19,20)/b11-10-

> <INCHI_KEY>
WRIDQFICGBMAFQ-KHPPLWFESA-N

> <FORMULA>
C18H34O2

> <MOLECULAR_WEIGHT>
282.468

> <EXACT_MASS>
282.255880335

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
37.05705848728425

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(8Z)-octadec-8-enoic acid

> <ALOGPS_LOGP>
7.69

> <JCHEM_LOGP>
6.783798451000001

> <ALOGPS_LOGS>
-6.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.885823686047827

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
87.4022

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.20e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cis-8-octadecenoic acid

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0062582

> <GENERIC_NAME>
cis-8-Oleic acid

$$$$