-ISIS-  08091621332D

 18 20  0  0  0  0  0  0  0  0999 V2000
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   -0.7750   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    0.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  2  2  0  0  0  0
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  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
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  9  1  1  0  0  0  0
 10  7  2  0  0  0  0
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  5  4  1  0  0  0  0
 15 16  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
>  <ID> (BBL000048)
BBL000048

>  <Rotatable_Bonds> (BBL000048)
0

>  <logP> (BBL000048)
3.786

>  <PSA> (BBL000048)
56.73

>  <H_Donors> (BBL000048)
2

>  <H_Acceptors> (BBL000048)
0

>  <Number_of_rings> (BBL000048)
3

>  <NAME> (BBL000048)
2-(4-ethylphenyl)-2H-benzotriazol-5-amine

>  <Mol_Weight> (BBL000048)
238.29

>  <Mol_Formula> (BBL000048)
C14H14N4

>  <Smiles> (BBL000048)
CCc1ccc(cc1)n1nc2c(n1)ccc(c2)N

>  <Alternative_identifier> (BBL000048)
MFCD02628446

$$$$