-ISIS-  08091621332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.8708    1.4250    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7333   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.5750    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9958   -0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.9208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.4083    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 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18  7  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  2  0  0  0  0
 21 19  2  0  0  0  0
 12  4  1  0  0  0  0
  6  7  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <ID> (BBL000965)
BBL000965

>  <Rotatable_Bonds> (BBL000965)
1

>  <logP> (BBL000965)
2.328

>  <PSA> (BBL000965)
84.74

>  <H_Donors> (BBL000965)
1

>  <H_Acceptors> (BBL000965)
2

>  <Number_of_rings> (BBL000965)
3

>  <NAME> (BBL000965)
N-(3-chlorophenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

>  <Mol_Weight> (BBL000965)
322.77

>  <Mol_Formula> (BBL000965)
C13H11ClN4O2S

>  <Smiles> (BBL000965)
Clc1cccc(c1)NS(=O)(=O)c1cccn2c1nnc2C

>  <Alternative_identifier> (BBL000965)
MFCD18804121

$$$$