Mrv1652306031917432D          

 16 15  0  0  0  0            999 V2000
10001.930110002.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.645210001.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.358810002.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.074410001.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.790110002.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.503710001.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.219310002.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.934910001.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.648410002.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.104510002.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.389710001.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.674910002.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.960110001.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.245110002.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.530310001.9858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.245110003.2230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  2  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  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
 14 16  2  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0000521

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,2-8,11-13H2,1H3,(H,15,16)/b10-9-

> <INCHI_KEY>
AFGUVBVUFZMJMX-KTKRTIGZSA-N

> <FORMULA>
C14H26O2

> <MOLECULAR_WEIGHT>
226.355

> <EXACT_MASS>
226.193280076

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
28.738842879820055

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5Z)-tetradec-5-enoic acid

> <ALOGPS_LOGP>
5.77

> <JCHEM_LOGP>
5.005523791

> <ALOGPS_LOGS>
-5.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.885676019177561

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
68.9982

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.79e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cis-5-tetradecenoic acid

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0000521

> <GENERIC_NAME>
5Z-Tetradecenoic acid

> <SYNONYMS>
(5Z)- 5-Tetradecenoate; (5Z)- 5-Tetradecenoic acid; (Z)-5-Tetradecenoate; (Z)-5-Tetradecenoic acid; 5Z-Tetradecenoate; 5Z-Tetradecenoic acid; cis-5-Tetradecenoate; cis-5-Tetradecenoic acid; cis-D5-Tetradecenoate; cis-D5-Tetradecenoic acid

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