-ISIS-  08091621332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0458   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.9750    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6375   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8833   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083    2.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -2.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8208    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    2.6458    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  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8 15  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
  5 11  1  0  0  0  0
 16  8  1  0  0  0  0
M  END
>  <ID> (BBL000284)
BBL000284

>  <Rotatable_Bonds> (BBL000284)
2

>  <logP> (BBL000284)
-0.077

>  <PSA> (BBL000284)
75.79

>  <H_Donors> (BBL000284)
3

>  <H_Acceptors> (BBL000284)
3

>  <Number_of_rings> (BBL000284)
2

>  <NAME> (BBL000284)
5-amino-2-(morpholin-4-yl)benzoic acid

>  <Mol_Weight> (BBL000284)
222.24

>  <Mol_Formula> (BBL000284)
C11H14N2O3

>  <Smiles> (BBL000284)
Nc1ccc(c(c1)C(=O)O)N1CCOCC1

>  <CAS_Number> (BBL000284)
65989-45-9

>  <Alternative_identifier> (BBL000284)
MFCD01935677

$$$$