-ISIS-  08251613502D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.5958    0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4958   -0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0833    0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3667   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    2.0708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2292    0.9292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3667   -1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -1.5708    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  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
  5  4  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <ID> (STL373311)
STL373311

>  <Rotatable_Bonds> (STL373311)
1

>  <logP> (STL373311)
3.069

>  <PSA> (STL373311)
41.57

>  <H_Donors> (STL373311)
1

>  <H_Acceptors> (STL373311)
0

>  <Number_of_rings> (STL373311)
2

>  <NAME> (STL373311)
5-(2-bromophenyl)-3-chloro-1H-1,2,4-triazole

>  <Mol_Weight> (STL373311)
258.50

>  <Mol_Formula> (STL373311)
C8H5BrClN3

>  <Smiles> (STL373311)
Clc1n[nH]c(n1)c1ccccc1Br

$$$$