-ISIS-  08091621332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9208    0.3625    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5125   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0583   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0708    1.3583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -1.3667    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  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
  4  5  1  0  0  0  0
 17 15  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <ID> (BBL000051)
BBL000051

>  <SALTDATA> (BBL000051)
HCl

>  <Rotatable_Bonds> (BBL000051)
2

>  <logP> (BBL000051)
5.822

>  <PSA> (BBL000051)
56.73

>  <H_Donors> (BBL000051)
2

>  <H_Acceptors> (BBL000051)
0

>  <Number_of_rings> (BBL000051)
3

>  <NAME> (BBL000051)
2-(4-butylphenyl)-6-chloro-2H-benzotriazol-5-amine

>  <Mol_Weight> (BBL000051)
300.79

>  <Mol_Formula> (BBL000051)
C16H17ClN4

>  <Smiles> (BBL000051)
CCCCc1ccc(cc1)n1nc2c(n1)cc(c(c2)Cl)N

>  <Alternative_identifier> (BBL000051)
MFCD03031891

$$$$