-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000   -2.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -3.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8667   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  9  2  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
  8  5  1  0  0  0  0
 13 15  2  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <ID> (BBL000538)
BBL000538

>  <Rotatable_Bonds> (BBL000538)
0

>  <logP> (BBL000538)
3.592

>  <PSA> (BBL000538)
45.82

>  <H_Donors> (BBL000538)
0

>  <H_Acceptors> (BBL000538)
2

>  <Number_of_rings> (BBL000538)
2

>  <NAME> (BBL000538)
4-nitrobiphenyl

>  <Mol_Weight> (BBL000538)
199.21

>  <Mol_Formula> (BBL000538)
C12H9NO2

>  <Smiles> (BBL000538)
[O-][N+](=O)c1ccc(cc1)c1ccccc1

>  <CAS_Number> (BBL000538)
92-93-3

>  <Alternative_identifier> (BBL000538)
MFCD00007342

$$$$