Mrv1652303192001403D          

 10 10  0  0  0  0            999 V2000
   -1.7234   -1.6115    0.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9848   -0.2956   -1.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953    1.8129   -1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7796    0.3132    0.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1881   -0.8426    1.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1608   -0.7096   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7900    0.8333   -0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744   -0.2815    0.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0909    1.1468    0.1557 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9294   -1.0921    1.0938 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
M  END
> <DATABASE_ID>
CDB000509

> <DATABASE_NAME>
CDB

> <SMILES>
CC(=C)C1=NC=CN=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C8H10N2/c1-6(2)8-7(3)9-4-5-10-8/h4-5H,1H2,2-3H3

> <INCHI_KEY>
NJUMRZOJYYCHHV-UHFFFAOYSA-N

> <FORMULA>
C8H10N2

> <MOLECULAR_WEIGHT>
134.182

> <EXACT_MASS>
134.08439833

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
14.862721661821055

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methyl-3-(prop-1-en-2-yl)pyrazine

> <ALOGPS_LOGP>
1.29

> <JCHEM_LOGP>
1.0912181296666665

> <ALOGPS_LOGS>
-0.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.3935579478194036

> <JCHEM_POLAR_SURFACE_AREA>
25.78

> <JCHEM_REFRACTIVITY>
39.931999999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.13e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methyl-3-(prop-1-en-2-yl)pyrazine

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000509

> <GENERIC_NAME>
2-Isopropenyl-3-methylpyrazine

$$$$