Mrv1652303192001403D          

 10 10  0  0  0  0            999 V2000
   -0.3768   -1.9855    1.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2035    0.3616    0.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4772   -0.5344   -0.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4228   -1.0866    1.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2368    1.6534   -1.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2831    1.4429   -0.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9599    1.0150   -1.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0714    0.5318    0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1650    0.1366   -0.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1196   -0.1077    0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000503

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=CC=CC(C)=C1C=C

> <INCHI_IDENTIFIER>
InChI=1S/C10H12/c1-4-10-8(2)6-5-7-9(10)3/h4-7H,1H2,2-3H3

> <INCHI_KEY>
OWRKXOZFTROHSH-UHFFFAOYSA-N

> <FORMULA>
C10H12

> <MOLECULAR_WEIGHT>
132.206

> <EXACT_MASS>
132.093900386

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
16.087842656000042

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-ethenyl-1,3-dimethylbenzene

> <ALOGPS_LOGP>
3.73

> <JCHEM_LOGP>
3.7367906626666665

> <ALOGPS_LOGS>
-3.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
45.82670000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.05e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-ethenyl-1,3-dimethylbenzene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000503

> <GENERIC_NAME>
2,6-Dimethyl styrene

$$$$