Mrv1652304032019092D          

 17 16  0  0  0  0            999 V2000
    4.9499   -2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6644   -3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789   -2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0933   -3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8078   -2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223   -3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2367   -2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9512   -3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6656   -2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3801   -3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0946   -2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0946   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8090   -1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8090   -0.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5235   -0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -3.2703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9499   -2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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
  1 16  2  0  0  0  0
  1 17  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB098407

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-6H,2-4,7-14H2,1H3,(H,16,17)/b6-5-

> <INCHI_KEY>
APXSAEQXOXTDAM-WAYWQWQTSA-N

> <FORMULA>
C15H28O2

> <MOLECULAR_WEIGHT>
240.387

> <EXACT_MASS>
240.208930142

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
30.83594140845011

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
6.21

> <JCHEM_LOGP>
5.450092456

> <ALOGPS_LOGS>
-5.38

> <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>
73.5992

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.01e-03 g/l

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

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB098407

> <GENERIC_NAME>
10Z-Pentadecenoic acid

$$$$