Mrv1652303192021432D          

 16 15  0  0  0  0            999 V2000
 9997.9490 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.6639 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3795 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0931 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.8088 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.5224 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.2381 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.9537 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.6673 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2342 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.5192 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.8044 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.0895 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.3747 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.6597 9998.0698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.3747 9999.3071    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>
FDB022089

> <DATABASE_NAME>
foodb

> <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-MDZDMXLPSA-N

> <FORMULA>
C14H26O2

> <MOLECULAR_WEIGHT>
226.355

> <EXACT_MASS>
226.193280076

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
29.144877503130864

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5E)-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>
physeteric acid

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB022089

> <GENERIC_NAME>
5Z-Tetradecenoic acid

$$$$