-ISIS-  08091621332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4333    1.4458    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2958   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.5792    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5458   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -1.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333    1.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3083    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3208    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0208    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1833   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  3  2  0  0  0  0
 12 13  2  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
 12  4  1  0  0  0  0
  6  7  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <ID> (BBL000941)
BBL000941

>  <Rotatable_Bonds> (BBL000941)
1

>  <logP> (BBL000941)
1.298

>  <PSA> (BBL000941)
84.74

>  <H_Donors> (BBL000941)
1

>  <H_Acceptors> (BBL000941)
2

>  <Number_of_rings> (BBL000941)
3

>  <NAME> (BBL000941)
3-methyl-N-phenyl[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

>  <Mol_Weight> (BBL000941)
288.33

>  <Mol_Formula> (BBL000941)
C13H12N4O2S

>  <Smiles> (BBL000941)
Cc1nnc2n1cccc2S(=O)(=O)Nc1ccccc1

>  <Alternative_identifier> (BBL000941)
MFCD18804099

$$$$