Mrv1652303192001373D          

 10 11  0  0  0  0            999 V2000
    2.0295   -1.7396    0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527    0.2063   -0.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2319   -0.1181    0.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6281    0.9221   -1.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204    1.1741   -0.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4110    0.3989    1.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4923   -0.7172   -0.5406 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8949    0.5447    0.4322 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7402   -0.3414    0.7658 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4157    0.1422   -0.0001 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  7  1  0  0  0  0
  8  3  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000456

> <DATABASE_NAME>
CDB

> <SMILES>
CC(C)[C@]12C[C@H]1[C@H](C)CC2

> <INCHI_IDENTIFIER>
InChI=1S/C10H18/c1-7(2)10-5-4-8(3)9(10)6-10/h7-9H,4-6H2,1-3H3/t8-,9+,10+/m1/s1

> <INCHI_KEY>
GCTNBVHDRFKLLK-UTLUCORTSA-N

> <FORMULA>
C10H18

> <MOLECULAR_WEIGHT>
138.254

> <EXACT_MASS>
138.14085058

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
17.88017515578788

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexane

> <ALOGPS_LOGP>
3.63

> <JCHEM_LOGP>
3.207240927666667

> <ALOGPS_LOGS>
-4.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
43.8723

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.83e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4R,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexane

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000456

> <GENERIC_NAME>
Cis-Sabinene hydrate

$$$$