Mrv1652305261923542D          

 11 11  0  0  0  0            999 V2000
   -1.7866    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7866   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0720    0.8246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0720   -0.8246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB015028

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)CC1=C(C)N=CC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C9H14N2/c1-7(2)6-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H3

> <INCHI_KEY>
ZHMIODDNZRIENW-UHFFFAOYSA-N

> <FORMULA>
C9H14N2

> <MOLECULAR_WEIGHT>
150.2209

> <EXACT_MASS>
150.115698458

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
17.48697025452269

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methyl-3-(2-methylpropyl)pyrazine

> <ALOGPS_LOGP>
2.04

> <JCHEM_LOGP>
1.2327649083333334

> <ALOGPS_LOGS>
-1.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.4783486765652645

> <JCHEM_POLAR_SURFACE_AREA>
25.78

> <JCHEM_REFRACTIVITY>
44.7037

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.10e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methyl-3-(2-methylpropyl)pyrazine

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB015028

> <GENERIC_NAME>
2-Methyl-3-(2-methylpropyl)pyrazine

$$$$