Mrv1652303202018592D          

 10 11  0  0  0  0            999 V2000
    0.4407   -1.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2600   -2.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9603   -1.6618    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9607   -0.8368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2596   -0.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4407   -0.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1910   -1.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6613   -1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2065   -0.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1618   -2.0162    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  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  1  0  0  0
  4  5  1  0  0  0  0
  4  8  1  1  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB013230

> <DATABASE_NAME>
foodb

> <SMILES>
CC1=CC[C@H]2[C@@H](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/t8-,9+/m0/s1

> <INCHI_KEY>
BQOFWKZOCNGFEC-DTWKUNHWSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.332731841765426

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,6S)-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>
(-)-delta(3)-carene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB013230

> <GENERIC_NAME>
(+)-alpha-Carene

$$$$