Mrv0541 02241217292D          

 10 11  0  0  0  0            999 V2000
    0.0969    0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8114    1.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5259    0.7990    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8114   -0.4384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0970   -0.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6083   -0.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8114    2.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7833   -1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4833   -1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -1.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  6  0  0  0
  3  6  1  6  0  0  0
  2  7  2  0  0  0  0
  4  8  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB014908

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1

> <INCHI_KEY>
NDVASEGYNIMXJL-UWVGGRQHSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
17.245890195953077

> <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]hexane

> <ALOGPS_LOGP>
3.04

> <JCHEM_LOGP>
2.859595116666666

> <ALOGPS_LOGS>
-3.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
43.64979999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.40e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(-)-sabinene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB014908

> <GENERIC_NAME>
(+)-4(10)-Thujene

$$$$