-ISIS-  08091621332D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.2958   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9083   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  2  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  2  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <ID> (BBL000499)
BBL000499

>  <Rotatable_Bonds> (BBL000499)
2

>  <logP> (BBL000499)
2.646

>  <PSA> (BBL000499)
66.4

>  <H_Donors> (BBL000499)
2

>  <H_Acceptors> (BBL000499)
3

>  <Number_of_rings> (BBL000499)
2

>  <NAME> (BBL000499)
3-[(phenylcarbonyl)amino]benzoic acid

>  <Mol_Weight> (BBL000499)
241.25

>  <Mol_Formula> (BBL000499)
C14H11NO3

>  <Smiles> (BBL000499)
O=C(c1ccccc1)Nc1cccc(c1)C(=O)O

>  <CAS_Number> (BBL000499)
587-54-2

>  <Alternative_identifier> (BBL000499)
MFCD00157843

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