-ISIS-  08251614582D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -4.2500    1.7292    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2542    1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    0.8667    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2458    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    2.5917    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2500    1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    2.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7458    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458    0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2542   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7458    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 12  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  2  0  0  0  0
 22 19  2  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 18  2  0  0  0  0
 26 24  2  0  0  0  0
 27 23  2  0  0  0  0
  7 13  1  0  0  0  0
 26 25  1  0  0  0  0
 27 22  1  0  0  0  0
M  CHG  2   1   1   6  -1
M  END
>  <ID> (STK185983)
STK185983

>  <Rotatable_Bonds> (STK185983)
2

>  <logP> (STK185983)
4.273

>  <PSA> (STK185983)
78.16

>  <H_Donors> (STK185983)
1

>  <H_Acceptors> (STK185983)
3

>  <Number_of_rings> (STK185983)
3

>  <NAME> (STK185983)
N',N'-dibenzyl-4-nitrobenzohydrazide

>  <Mol_Weight> (STK185983)
361.40

>  <Mol_Formula> (STK185983)
C21H19N3O3

>  <Smiles> (STK185983)
O=C(c1ccc(cc1)[N+](=O)[O-])NN(Cc1ccccc1)Cc1ccccc1

$$$$