-ISIS-  08091621332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.0250   -0.9917    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2917   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4042   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -0.9917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1667   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0167   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8875   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4042    2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0167   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542    2.0167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917   -0.9917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4042    3.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12  1  1  0  0  0  0
 13  1  2  0  0  0  0
 14 19  2  0  0  0  0
 15 18  1  0  0  0  0
 16  3  2  0  0  0  0
 17  2  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 26  1  0  0  0  0
 25  6  1  0  0  0  0
 26 25  2  0  0  0  0
  4 24  2  0  0  0  0
 10 14  1  0  0  0  0
 15 11  2  0  0  0  0
M  CHG  2   1   1  12  -1
M  END
>  <ID> (BBL000768)
BBL000768

>  <Rotatable_Bonds> (BBL000768)
3

>  <logP> (BBL000768)
4.801

>  <PSA> (BBL000768)
97.86

>  <H_Donors> (BBL000768)
4

>  <H_Acceptors> (BBL000768)
2

>  <Number_of_rings> (BBL000768)
3

>  <NAME> (BBL000768)
4,4'-[(3-nitrophenyl)methanediyl]bis(2-chloroaniline)

>  <Mol_Weight> (BBL000768)
388.25

>  <Mol_Formula> (BBL000768)
C19H15Cl2N3O2

>  <Smiles> (BBL000768)
[O-][N+](=O)c1cccc(c1)C(c1ccc(c(c1)Cl)N)c1ccc(c(c1)Cl)N

>  <Alternative_identifier> (BBL000768)
MFCD00368907

$$$$