Mrv1652303202019002D          

 10 10  0  0  0  0            999 V2000
    0.3656    1.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3656    0.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3656    0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3656   -0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0976    0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0976    0.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483    1.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0163   -1.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0163   -0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483    0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB000812

> <DATABASE_NAME>
foodb

> <SMILES>
CC(=C)C1=CC=C(C)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3

> <INCHI_KEY>
MMSLOZQEMPDGPI-UHFFFAOYSA-N

> <FORMULA>
C10H12

> <MOLECULAR_WEIGHT>
132.2023

> <EXACT_MASS>
132.093900384

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
16.352834196708212

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-methyl-4-(prop-1-en-2-yl)benzene

> <ALOGPS_LOGP>
3.79

> <JCHEM_LOGP>
3.522763878333333

> <ALOGPS_LOGS>
-2.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
45.067499999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.60e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-methyl-4-(prop-1-en-2-yl)benzene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB000812

> <GENERIC_NAME>
p-Mentha-1,3,5,8-tetraene

$$$$