-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.1583    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    1.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    1.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <ID> (BBL000348)
BBL000348

>  <Rotatable_Bonds> (BBL000348)
5

>  <logP> (BBL000348)
1.727

>  <PSA> (BBL000348)
49.33

>  <H_Donors> (BBL000348)
2

>  <H_Acceptors> (BBL000348)
2

>  <Number_of_rings> (BBL000348)
1

>  <NAME> (BBL000348)
2-[(ethylamino)methyl]benzoic acid

>  <Mol_Weight> (BBL000348)
179.22

>  <Mol_Formula> (BBL000348)
C10H13NO2

>  <Smiles> (BBL000348)
CCNCc1ccccc1C(=O)O

>  <Alternative_identifier> (BBL000348)
MFCD08756352

$$$$