Mrv0541 02241217152D          

 10 10  0  0  0  0            999 V2000
   -1.0699    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0699   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3566   -0.8247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3566    0.8233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0698    0.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0698   -0.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7846    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7846   -0.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB013467

> <DATABASE_NAME>
foodb

> <SMILES>
CC1=CN=C(C=C)C(C)=N1

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

> <INCHI_KEY>
ZUOLEJGELMNGPM-UHFFFAOYSA-N

> <FORMULA>
C8H10N2

> <MOLECULAR_WEIGHT>
134.1784

> <EXACT_MASS>
134.08439833

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
15.206881110127236

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-ethenyl-3,5-dimethylpyrazine

> <ALOGPS_LOGP>
1.37

> <JCHEM_LOGP>
0.771004476

> <ALOGPS_LOGS>
-0.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.0906692827225237

> <JCHEM_POLAR_SURFACE_AREA>
25.78

> <JCHEM_REFRACTIVITY>
40.1664

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.66e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-ethenyl-3,5-dimethylpyrazine

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB013467

> <GENERIC_NAME>
3,5-Dimethyl-2-vinylpyrazine

$$$$