Mrv1652305261800062D          

 16 15  0  0  0  0            999 V2000
10012.586610013.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.302310012.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.018110013.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.843710013.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.558510012.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10016.273310013.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10016.988110012.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10017.703110013.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10018.417910012.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.761710013.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.046110012.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.330610013.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.616910012.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.901410013.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.187710012.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10008.901410013.9515    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  2  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>
NP0334652

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,15,16)/b7-6-,10-9-

> <INCHI_KEY>
HXHZGHRLVRFQDR-HZJYTTRNSA-N

> <FORMULA>
C14H24O2

> <MOLECULAR_WEIGHT>
224.3392

> <EXACT_MASS>
224.177630012

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
27.525730404385264

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5Z,8Z)-tetradeca-5,8-dienoic acid

> <ALOGPS_LOGP>
5.35

> <JCHEM_LOGP>
4.643602134333333

> <ALOGPS_LOGS>
-4.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.819771840522258

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
70.1148

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.20e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5Z,8Z)-tetradeca-5,8-dienoic acid

> <JCHEM_VEBER_RULE>
1

> <NP-MRD_ID>
NP0334652

> <GENERIC_NAME>
(Z,Z)-5,8-Tetradecadienoic acid

$$$$