Mrv1533004241523212D          

  8 12  0  0  0  0            999 V2000
   -1.0820    0.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4636    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0525    0.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6713   -0.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0755   -0.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4845   -0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325   -0.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4581   -0.5876    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
  3  4  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB029742

> <DATABASE_NAME>
foodb

> <SMILES>
C12C3C4C1=C1C2C3=C41

> <INCHI_IDENTIFIER>
InChI=1S/C8H4/c1-2-5-3(1)7-4(1)6(2)8(5)7/h1-3,6H

> <INCHI_KEY>
KWFAQPWLROZBAY-UHFFFAOYSA-N

> <FORMULA>
C8H4

> <MOLECULAR_WEIGHT>
100.12

> <EXACT_MASS>
100.031300129

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
10.203121155370095

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,2,3,6-tetrahydrocubane

> <ALOGPS_LOGP>
0.66

> <JCHEM_LOGP>
-0.4572254519999999

> <ALOGPS_LOGS>
-1.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
30.346799999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.69e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,2,3,6-tetrahydrocubane

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB029742

> <GENERIC_NAME>
6beta,7beta,10beta-Cadina-1,4-diene

$$$$