-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.8708   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -2.0042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0083   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -1.5042    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7333   -3.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11  5  1  0  0  0  0
 12  8  2  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
  5  6  2  0  0  0  0
 16 17  2  0  0  0  0
M  CHG  2   2   1   9  -1
M  END
>  <ID> (BBL000450)
BBL000450

>  <Rotatable_Bonds> (BBL000450)
0

>  <logP> (BBL000450)
1.418

>  <PSA> (BBL000450)
99.31

>  <H_Donors> (BBL000450)
2

>  <H_Acceptors> (BBL000450)
3

>  <Number_of_rings> (BBL000450)
2

>  <NAME> (BBL000450)
2-(nitroamino)-6-phenylpyrimidin-4(3H)-one

>  <Mol_Weight> (BBL000450)
232.20

>  <Mol_Formula> (BBL000450)
C10H8N4O3

>  <Smiles> (BBL000450)
[O-][N+](=O)Nc1nc(cc(=O)[nH]1)c1ccccc1

>  <Alternative_identifier> (BBL000450)
MFCD17780424

$$$$