Mrv1652309272007312D          

 10 11  0  0  0  0            999 V2000
 9999.060510001.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.530810000.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0543 9999.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.479110000.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.054210000.6502    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.339710000.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3397 9999.4126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.0542 9999.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7687 9999.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.768710000.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  5 10  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
  9 10  1  0  0  0  0
  1  6  1  0  0  0  0
  6  2  1  0  0  0  0
 10  4  2  0  0  0  0
  5  3  1  1  0  0  0
  7  3  1  1  0  0  0
M  END
> <DATABASE_ID>
FDB015463

> <DATABASE_NAME>
foodb

> <SMILES>
CC1(C)[C@@H]2C[C@H]1C(=C)CC2

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1

> <INCHI_KEY>
WTARULDDTDQWMU-IUCAKERBSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.13657364742479

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane

> <ALOGPS_LOGP>
3.94

> <JCHEM_LOGP>
2.859595116666666

> <ALOGPS_LOGS>
-3.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
43.6498

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.37e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(-)-β-pinene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB015463

> <GENERIC_NAME>
(-)-beta-Pinene

$$$$