-ISIS-  08091621332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.0042    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -2.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    3.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  2  0  0  0  0
  6  8  2  0  0  0  0
  7  3  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  2  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 14  5  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <ID> (BBL000349)
BBL000349

>  <SALTDATA> (BBL000349)
HCl

>  <Rotatable_Bonds> (BBL000349)
4

>  <logP> (BBL000349)
2.123

>  <PSA> (BBL000349)
62.22

>  <H_Donors> (BBL000349)
2

>  <H_Acceptors> (BBL000349)
2

>  <Number_of_rings> (BBL000349)
2

>  <NAME> (BBL000349)
2-methyl-3-[(pyridin-2-ylmethyl)amino]benzoic acid

>  <Mol_Weight> (BBL000349)
242.28

>  <Mol_Formula> (BBL000349)
C14H14N2O2

>  <Smiles> (BBL000349)
OC(=O)c1cccc(c1C)NCc1ccccn1

>  <CAS_Number> (BBL000349)
881445-78-9

>  <Alternative_identifier> (BBL000349)
MFCD08068111

$$$$