Mrv1652303182021543D          

 15 17  0  0  0  0            999 V2000
    0.1557    2.5907    0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966    0.2546    0.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2767    0.4196   -1.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4590   -1.8133    1.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1065    0.7685    0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2075    1.9427   -0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8349   -1.9853   -0.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6079   -0.4230   -0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5066   -1.5310   -1.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8221    1.5639    0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4771   -1.3139    0.3286 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3953    0.2970    0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722   -0.0405    0.7978 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1805    0.0310    0.0173 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2631   -0.8253   -0.0736 C   0  0  2  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
 15  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
 11  7  1  6  0  0  0
  8 15  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  6  0  0  0
M  END
> <DATABASE_ID>
CDB000572

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=C2[C@H]3[C@@H](CC[C@]2(C)CCC1)C3(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-10-6-5-8-15(4)9-7-11-13(12(10)15)14(11,2)3/h11,13H,5-9H2,1-4H3/t11-,13-,15+/m1/s1

> <INCHI_KEY>
UPGLJTCDRBIZKP-KYOSRNDESA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.767118451051296

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1aR,3aS,7bS)-1,1,3a,7-tetramethyl-1H,1aH,2H,3H,3aH,4H,5H,6H,7bH-cyclopropa[a]naphthalene

> <ALOGPS_LOGP>
4.51

> <JCHEM_LOGP>
4.057500361666667

> <ALOGPS_LOGS>
-4.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
65.42779999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.15e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1aR,3aS,7bS)-1,1,3a,7-tetramethyl-1aH,2H,3H,4H,5H,6H,7bH-cyclopropa[a]naphthalene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000572

> <GENERIC_NAME>
Beta-maaliene

$$$$