Mrv0541 02241214382D          

 15 16  0  0  0  0            999 V2000
   -2.8582    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8582   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1443   -0.8246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4318   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4318    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1443    0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7167   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0014   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7139   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8582   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8582    0.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    0.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291    0.4120    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB015027

> <DATABASE_NAME>
foodb

> <SMILES>
C(CC1=CC=CC=C1)CC1=NC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C14H15N/c1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14/h1-5,7-8,10,12H,6,9,11H2

> <INCHI_KEY>
JJJPNTQYUJPWGQ-UHFFFAOYSA-N

> <FORMULA>
C14H15N

> <MOLECULAR_WEIGHT>
197.2756

> <EXACT_MASS>
197.120449485

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
23.24398280808842

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(3-phenylpropyl)pyridine

> <ALOGPS_LOGP>
3.88

> <JCHEM_LOGP>
3.610420707666667

> <ALOGPS_LOGS>
-3.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.591978647098557

> <JCHEM_POLAR_SURFACE_AREA>
12.89

> <JCHEM_REFRACTIVITY>
62.41650000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.20e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3-phenylpropyl)pyridine

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB015027

> <GENERIC_NAME>
2-(3-Phenylpropyl)pyridine

$$$$