-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0083    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.9958    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  1  2  0  0  0  0
  6  3  2  0  0  0  0
  7  4  2  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
 14 15  2  0  0  0  0
 15  4  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 17  9  2  0  0  0  0
 16  8  2  0  0  0  0
M  END
>  <ID> (BBL000235)
BBL000235

>  <Rotatable_Bonds> (BBL000235)
1

>  <logP> (BBL000235)
2.571

>  <PSA> (BBL000235)
55.12

>  <H_Donors> (BBL000235)
3

>  <H_Acceptors> (BBL000235)
1

>  <Number_of_rings> (BBL000235)
2

>  <NAME> (BBL000235)
N-(3-aminophenyl)-3-chlorobenzamide

>  <Mol_Weight> (BBL000235)
246.70

>  <Mol_Formula> (BBL000235)
C13H11ClN2O

>  <Smiles> (BBL000235)
Nc1cccc(c1)NC(=O)c1cccc(c1)Cl

>  <CAS_Number> (BBL000235)
293737-89-0

>  <Alternative_identifier> (BBL000235)
MFCD00443352

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