-ISIS-  08091621332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.1708    0.3625    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7625   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -1.3667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -0.5042    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 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 15  2  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
  5  4  1  0  0  0  0
 12 13  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <ID> (BBL000209)
BBL000209

>  <SALTDATA> (BBL000209)
HCl

>  <Rotatable_Bonds> (BBL000209)
1

>  <logP> (BBL000209)
3.715

>  <PSA> (BBL000209)
65.96

>  <H_Donors> (BBL000209)
2

>  <H_Acceptors> (BBL000209)
1

>  <Number_of_rings> (BBL000209)
3

>  <NAME> (BBL000209)
2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-amine

>  <Mol_Weight> (BBL000209)
288.74

>  <Mol_Formula> (BBL000209)
C14H13ClN4O

>  <Smiles> (BBL000209)
COc1ccc(cc1Cl)n1nc2c(n1)cc(c(c2)N)C

>  <Alternative_identifier> (BBL000209)
MFCD02628416

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