Mrv0541 02241217292D          

 13 14  0  0  0  0            999 V2000
   -2.1438    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1438   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292    0.8246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292   -0.8246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1438   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1438    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.8246    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  6  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB015029

> <DATABASE_NAME>
foodb

> <SMILES>
C(C1CCCCC1)C1=CN=CC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h6-7,9-10H,1-5,8H2

> <INCHI_KEY>
DGJZDAIWCSVZBI-UHFFFAOYSA-N

> <FORMULA>
C11H16N2

> <MOLECULAR_WEIGHT>
176.2581

> <EXACT_MASS>
176.131348522

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
20.48599645677655

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(cyclohexylmethyl)pyrazine

> <ALOGPS_LOGP>
2.73

> <JCHEM_LOGP>
1.9713748316666664

> <ALOGPS_LOGS>
-2.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.2042384519701796

> <JCHEM_POLAR_SURFACE_AREA>
25.78

> <JCHEM_REFRACTIVITY>
52.11299999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.57e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(cyclohexylmethyl)pyrazine

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB015029

> <GENERIC_NAME>
(Cyclohexylmethyl)pyrazine

$$$$