Mrv1909 11232014452D          

 10 11  0  0  0  0            999 V2000
   -0.4561    0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2561    0.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8309    1.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1849    0.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2561   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1849    0.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7247    1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4602   -0.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1849   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7372   -1.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
DB15917

> <DATABASE_NAME>
drugbank

> <SMILES>
CC1(C)C2CCC(C2)C1=C

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

> <INCHI_KEY>
CRPUJAZIXJMDBK-UHFFFAOYSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.238

> <EXACT_MASS>
136.125200515

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
16.953437314830023

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

> <ALOGPS_LOGP>
4.56

> <JCHEM_LOGP>
2.859595116666666

> <ALOGPS_LOGS>
-3.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
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>
6.21e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3S,4S)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB15917

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Camphene

> <SYNONYMS>
DL-Camphene

$$$$