Mrv0541 02251208192D          

 14 13  0  0  0  0            999 V2000
   10.1751   -2.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8896   -2.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8896   -3.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6041   -4.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6041   -5.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1751   -1.7127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4606   -2.9502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3185   -5.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0330   -5.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4619   -5.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1765   -5.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1765   -6.2503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8909   -5.0128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7475   -5.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB029345

> <DATABASE_NAME>
foodb

> <SMILES>
OC(=O)CCC\C=C/CCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-2H,3-8H2,(H,11,12)(H,13,14)/b2-1-

> <INCHI_KEY>
WAGQZQAZCIOEDU-UPHRSURJSA-N

> <FORMULA>
C10H16O4

> <MOLECULAR_WEIGHT>
200.2316

> <EXACT_MASS>
200.104859

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
21.392409550497508

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5Z)-dec-5-enedioic acid

> <ALOGPS_LOGP>
1.79

> <JCHEM_LOGP>
1.9070073659999993

> <ALOGPS_LOGS>
-2.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.256174785049645

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.654114793721683

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
52.259600000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.40e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5Z)-dec-5-enedioic acid

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB029345

> <GENERIC_NAME>
cis-5-Decenedioic acid

$$$$