-ISIS-  08091621332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0792    0.0042    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5208   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0750   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5708   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5708    0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0750    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0708    0.0042    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 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
  5  4  1  0  0  0  0
 15 16  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <ID> (BBL000049)
BBL000049

>  <Rotatable_Bonds> (BBL000049)
0

>  <logP> (BBL000049)
3.715

>  <PSA> (BBL000049)
56.73

>  <H_Donors> (BBL000049)
2

>  <H_Acceptors> (BBL000049)
0

>  <Number_of_rings> (BBL000049)
3

>  <NAME> (BBL000049)
6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-amine

>  <Mol_Weight> (BBL000049)
238.29

>  <Mol_Formula> (BBL000049)
C14H14N4

>  <Smiles> (BBL000049)
Cc1ccc(cc1)n1nc2c(n1)cc(c(c2)N)C

>  <Alternative_identifier> (BBL000049)
MFCD02258026

$$$$