-ISIS-  08091621332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.1708   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    1.7583    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4333   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6 11  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15  1  2  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  5  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 18 20  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
>  <ID> (BBL000015)
BBL000015

>  <Rotatable_Bonds> (BBL000015)
2

>  <logP> (BBL000015)
4.911

>  <PSA> (BBL000015)
65.26

>  <H_Donors> (BBL000015)
1

>  <H_Acceptors> (BBL000015)
2

>  <Number_of_rings> (BBL000015)
2

>  <NAME> (BBL000015)
2-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid

>  <Mol_Weight> (BBL000015)
269.30

>  <Mol_Formula> (BBL000015)
C15H15N3O2

>  <Smiles> (BBL000015)
CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C

>  <CAS_Number> (BBL000015)
845-10-3

>  <Alternative_identifier> (BBL000015)
MFCD00002426

$$$$