-ISIS-  08091621332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0667   -0.3542    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5167   -1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5167    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3417   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3417    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2042   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2042    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0667   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    1.3708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0625   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13 15  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
  5  4  1  0  0  0  0
 13 11  2  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <ID> (BBL000268)
BBL000268

>  <Rotatable_Bonds> (BBL000268)
0

>  <logP> (BBL000268)
3.85

>  <PSA> (BBL000268)
56.73

>  <H_Donors> (BBL000268)
2

>  <H_Acceptors> (BBL000268)
0

>  <Number_of_rings> (BBL000268)
3

>  <NAME> (BBL000268)
2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-amine

>  <Mol_Weight> (BBL000268)
258.71

>  <Mol_Formula> (BBL000268)
C13H11ClN4

>  <Smiles> (BBL000268)
Nc1ccc2c(c1)nn(n2)c1ccc(c(c1)Cl)C

>  <Alternative_identifier> (BBL000268)
MFCD01836728

$$$$