Mrv1652310121721462D          

 10 11  0  0  0  0            999 V2000
   -1.2276    1.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9421    1.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9421    0.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276    0.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5131    0.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5131    1.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2012    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6566    1.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3111    1.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3112    0.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  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  2  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB014324

> <DATABASE_NAME>
foodb

> <SMILES>
CC1=CCC2C(C1)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3

> <INCHI_KEY>
BQOFWKZOCNGFEC-UHFFFAOYSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.307795702829075

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,7,7-trimethylbicyclo[4.1.0]hept-3-ene

> <ALOGPS_LOGP>
3.64

> <JCHEM_LOGP>
2.801661446333333

> <ALOGPS_LOGS>
-2.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
44.7223

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.51e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
monoterpenes

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB014324

> <GENERIC_NAME>
alpha-Carene

$$$$