Mrv1652303192001393D          

 15 17  0  0  0  0            999 V2000
    1.0421   -1.3624    2.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3891    0.8642    0.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6967   -1.5386    0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4587   -1.4916   -0.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894    0.8671   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7996   -0.3748    0.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235    1.1395   -1.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0300    1.6041   -1.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4752    1.4780   -1.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803   -0.2190    1.1243 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8774    0.8750   -1.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7257    0.1856   -0.9717 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9400    0.3285    0.3652 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2780   -0.1115    0.3050 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3935   -0.1577   -0.0533 C   0  0  1  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000479

> <DATABASE_NAME>
CDB

> <SMILES>
C[C@H]1CCCC2=CC[C@H]3[C@@H](C3(C)C)[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h8,10,12-13H,5-7,9H2,1-4H3/t10-,12-,13-,15+/m0/s1

> <INCHI_KEY>
FOBXOZMHEKILEY-GZCFXPHUSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.907457570392545

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1aS,7S,7aS,7bS)-1,1,7,7a-tetramethyl-1H,1aH,2H,4H,5H,6H,7H,7aH,7bH-cyclopropa[a]naphthalene

> <ALOGPS_LOGP>
4.65

> <JCHEM_LOGP>
4.101158186333333

> <ALOGPS_LOGS>
-5.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
65.6944

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.79e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1aS,7S,7aS,7bS)-1,1,7,7a-tetramethyl-1aH,2H,4H,5H,6H,7H,7bH-cyclopropa[a]naphthalene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000479

> <GENERIC_NAME>
(-)-Aristolene

$$$$