Mrv1652311181918372D          

 26 25  0  0  0  0            999 V2000
 9994.7043 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.4191 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1338 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8488 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5635 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2787 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9922 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.7078 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.5326 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.2483 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.9638 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.6773 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.3930 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.1085 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.8241 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.5397 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.2532 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.9895 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.2746 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.5598 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.8451 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.1283 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.4134 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.6985 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9988.9838 9997.0199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9989.6985 9998.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  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  2  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  1  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0002368

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-

> <INCHI_KEY>
GWHCXVQVJPWHRF-KTKRTIGZSA-N

> <FORMULA>
C24H46O2

> <MOLECULAR_WEIGHT>
366.6208

> <EXACT_MASS>
366.349780716

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
49.832609595717976

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(15Z)-tetracos-15-enoic acid

> <ALOGPS_LOGP>
9.45

> <JCHEM_LOGP>
9.451210441

> <ALOGPS_LOGS>
-7.32

> <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>
115.00819999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.77e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nervonic acid

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0002368

> <GENERIC_NAME>
Nervonic acid

> <SYNONYMS>
(15Z)-tetracos-15-enoate; (15Z)-tetracos-15-enoic acid; (15Z)-Tetracosenoate; (15Z)-Tetracosenoic acid; (Z)-15-Tetracosenoate; (Z)-15-Tetracosenoic acid; 15-Tetracosenoate; 15-Tetracosenoic acid; 15Z-tetracosenoate; 15Z-tetracosenoic acid; cis-15-Teracosenoate; cis-15-Teracosenoic acid; cis-15-Tetracosenate; cis-15-Tetracosenic acid; cis-15-tetracosenoate; cis-15-tetracosenoic acid; cis-Delta(15)-tetracosenoate; cis-Delta(15)-tetracosenoic acid; cis-selacholeate; cis-selacholeic acid; Nervonate; selacholeate; selacholeic acid

$$$$