-ISIS-  08251614582D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.8042   -3.0333    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.2667    1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    2.1417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2958   -2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    3.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -3.9000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8042   -3.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2958   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2458    3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9 15  2  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  2  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16  6  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
 26 22  1  0  0  0  0
  9 14  1  0  0  0  0
 26 21  2  0  0  0  0
 24 25  1  0  0  0  0
M  CHG  2   1   1   7  -1
M  END
>  <ID> (STK007075)
STK007075

>  <Rotatable_Bonds> (STK007075)
3

>  <logP> (STK007075)
4.345

>  <PSA> (STK007075)
74.92

>  <H_Donors> (STK007075)
1

>  <H_Acceptors> (STK007075)
3

>  <Number_of_rings> (STK007075)
3

>  <NAME> (STK007075)
1-(4-nitrophenyl)-3-phenyl-3-(phenylamino)propan-1-one

>  <Mol_Weight> (STK007075)
346.39

>  <Mol_Formula> (STK007075)
C21H18N2O3

>  <Smiles> (STK007075)
O=C(c1ccc(cc1)[N+](=O)[O-])CC(c1ccccc1)Nc1ccccc1

$$$$