Mrv1652303192001523D          

 10 11  0  0  0  0            999 V2000
   -2.4363   -0.8489   -0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9035    1.5192   -0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5110    0.2353   -0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7783   -1.4561   -0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4629   -1.5044   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3257    0.3625    1.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3874    0.2105   -0.5784 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2709   -0.1383   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0772    0.6905    0.1304 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1073   -0.2053    0.0895 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
  3  8  2  0  0  0  0
  4  5  2  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
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000705

> <DATABASE_NAME>
CDB

> <SMILES>
CC(C)[C@]12C[C@H]1C(=C)C=C2

> <INCHI_IDENTIFIER>
InChI=1S/C10H14/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7,9H,3,6H2,1-2H3/t9-,10-/m0/s1

> <INCHI_KEY>
LBVRQJWOZIMWNY-UWVGGRQHSA-N

> <FORMULA>
C10H14

> <MOLECULAR_WEIGHT>
134.222

> <EXACT_MASS>
134.109550451

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
16.542537262713253

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hex-2-ene

> <ALOGPS_LOGP>
3.50

> <JCHEM_LOGP>
2.4976734599999997

> <ALOGPS_LOGS>
-3.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
44.766400000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.90e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,5S)-1-isopropyl-4-methylidenebicyclo[3.1.0]hex-2-ene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000705

> <GENERIC_NAME>
2,4(10)-Thujadien

$$$$