-ISIS-  08091621332D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.8667    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042    1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    2.5042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667    2.4917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -2.0000    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  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10 13  2  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16 17  2  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
  6 10  1  0  0  0  0
 18 12  2  0  0  0  0
M  END
>  <ID> (BBL000244)
BBL000244

>  <Rotatable_Bonds> (BBL000244)
1

>  <logP> (BBL000244)
2.112

>  <PSA> (BBL000244)
55.12

>  <H_Donors> (BBL000244)
3

>  <H_Acceptors> (BBL000244)
1

>  <Number_of_rings> (BBL000244)
2

>  <NAME> (BBL000244)
N-(3-aminophenyl)-2,4-dichlorobenzamide

>  <Mol_Weight> (BBL000244)
281.14

>  <Mol_Formula> (BBL000244)
C13H10Cl2N2O

>  <Smiles> (BBL000244)
Clc1ccc(c(c1)Cl)C(=O)Nc1cccc(c1)N

>  <CAS_Number> (BBL000244)
293737-92-5

>  <Alternative_identifier> (BBL000244)
MFCD00852738

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