-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.1042   -2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333   -0.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1417   -3.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2417   -1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5083   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5083   -1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2417   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542   -2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333    1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1375    1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083    2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3958    2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333    3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  8  2  0  0  0  0
  6  2  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
  5  7  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <ID> (BBL000066)
BBL000066

>  <Rotatable_Bonds> (BBL000066)
0

>  <logP> (BBL000066)
3.35

>  <PSA> (BBL000066)
41.46

>  <H_Donors> (BBL000066)
1

>  <H_Acceptors> (BBL000066)
1

>  <Number_of_rings> (BBL000066)
2

>  <NAME> (BBL000066)
4-nitroso-N-phenylaniline

>  <Mol_Weight> (BBL000066)
198.22

>  <Mol_Formula> (BBL000066)
C12H10N2O

>  <Smiles> (BBL000066)
O=Nc1ccc(cc1)Nc1ccccc1

>  <CAS_Number> (BBL000066)
156-10-5

>  <Alternative_identifier> (BBL000066)
MFCD00002062

$$$$