-ISIS-  08091621332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.8708    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.2458    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
   -3.4583    1.7458    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  5  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
  4  8  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <ID> (BBL000407)
BBL000407

>  <Rotatable_Bonds> (BBL000407)
1

>  <logP> (BBL000407)
5.737

>  <PSA> (BBL000407)
44.95

>  <H_Donors> (BBL000407)
1

>  <H_Acceptors> (BBL000407)
1

>  <Number_of_rings> (BBL000407)
3

>  <NAME> (BBL000407)
3-bromo-5-[(E)-phenyldiazenyl]biphenyl-4-ol

>  <Mol_Weight> (BBL000407)
353.22

>  <Mol_Formula> (BBL000407)
C18H13BrN2O

>  <Smiles> (BBL000407)
Oc1c(Br)cc(cc1/N=N/c1ccccc1)c1ccccc1

>  <Alternative_identifier> (BBL000407)
MFCD13372573

$$$$