-ISIS-  08251614182D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.7375   -2.1625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.1667    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.2542    2.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.1667    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7583    2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -2.1625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2375   -3.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2542    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2542    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7542    2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  6  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 11  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  5  2  0  0  0  0
 11 19  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20  6  1  0  0  0  0
 21  5  1  0  0  0  0
 22 10  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 11 18  2  0  0  0  0
  2 13  1  0  0  0  0
 22 24  2  0  0  0  0
M  CHG  2   1   1   8  -1
M  END
>  <ID> (STK544191)
STK544191

>  <Rotatable_Bonds> (STK544191)
0

>  <logP> (STK544191)
1.586

>  <PSA> (STK544191)
77.55

>  <H_Donors> (STK544191)
0

>  <H_Acceptors> (STK544191)
2

>  <Number_of_rings> (STK544191)
3

>  <NAME> (STK544191)
N-[(1Z)-1-(4-nitrophenyl)ethylidene]-4-(pyridin-2-yl)piperazin-1-amine

>  <Mol_Weight> (STK544191)
325.37

>  <Mol_Formula> (STK544191)
C17H19N5O2

>  <Smiles> (STK544191)
C/C(=N/N1CCN(CC1)c1ccccn1)/c1ccc(cc1)[N+](=O)[O-]

$$$$