Mrv1652303192001533D          

 10 10  0  0  0  0            999 V2000
   -2.5912   -1.1383   -0.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5637   -0.2765    1.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6599    2.4014    0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3609   -1.6615    0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0490   -1.3880   -0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2235    0.7335   -0.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566    1.2530   -0.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3462   -0.6988   -0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6123   -0.1545    0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2150    1.4681   -0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000730

> <DATABASE_NAME>
CDB

> <SMILES>
C=C1CCC(=C)CC(=C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H14/c1-8-4-5-9(2)7-10(3)6-8/h1-7H2

> <INCHI_KEY>
AUMDFGPXLFGYPZ-UHFFFAOYSA-N

> <FORMULA>
C10H14

> <MOLECULAR_WEIGHT>
134.222

> <EXACT_MASS>
134.109550451

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
16.507058103882585

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3,5-trimethylidenecycloheptane

> <ALOGPS_LOGP>
3.09

> <JCHEM_LOGP>
2.930100511

> <ALOGPS_LOGS>
-2.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
45.1853

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.52e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3,5-trimethylidenecycloheptane

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000730

> <GENERIC_NAME>
1,3,5-Trimethylenecycloheptane

$$$$