LMFA01030362
  Mrv1652303312018252D          

 21 20  0  0  0  0            999 V2000
   17.7983    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5085    5.1576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7983    6.2245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0828    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3670    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6512    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9355    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2196    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5038    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7881    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0723    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3564    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6407    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9249    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2091    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4933    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7775    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0617    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3459    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6302    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9143    5.1576    0.0000 C   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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0109632

> <DATABASE_NAME>
bmdb

> <SMILES>
CCCCCCCC\C=C/CCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H,2-8,11-18H2,1H3,(H,20,21)/b10-9-

> <INCHI_KEY>
BBOWBNGUEWHNQZ-KTKRTIGZSA-N

> <FORMULA>
C19H36O2

> <MOLECULAR_WEIGHT>
296.4879

> <EXACT_MASS>
296.271530396

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
39.195819156493464

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(10Z)-nonadec-10-enoic acid

> <ALOGPS_LOGP>
8.06

> <JCHEM_LOGP>
7.228367115999999

> <ALOGPS_LOGS>
-6.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.021116877046745

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
92.00319999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.57e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(10Z)-nonadec-10-enoic acid

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0109632

> <GENERIC_NAME>
cis-10-Nonadecenoic acid

$$$$