-ISIS-  08091621332D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    0.8625    0.2458    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.7292    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4542    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8667    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -2.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250    2.2458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4542    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3292    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
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  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
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 12  1  2  0  0  0  0
 13  1  1  0  0  0  0
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 15  5  1  0  0  0  0
 16  7  2  0  0  0  0
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 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
 10  3  1  0  0  0  0
 21 22  1  0  0  0  0
  6 14  2  0  0  0  0
M  END
>  <ID> (BBL000127)
BBL000127

>  <Rotatable_Bonds> (BBL000127)
0

>  <logP> (BBL000127)
1.368

>  <PSA> (BBL000127)
49.57

>  <H_Donors> (BBL000127)
2

>  <H_Acceptors> (BBL000127)
1

>  <Number_of_rings> (BBL000127)
3

>  <NAME> (BBL000127)
[4-(2-amino-4-chlorophenyl)piperazin-1-yl](phenyl)methanone

>  <Mol_Weight> (BBL000127)
315.80

>  <Mol_Formula> (BBL000127)
C17H18ClN3O

>  <Smiles> (BBL000127)
Clc1ccc(c(c1)N)N1CCN(CC1)C(=O)c1ccccc1

>  <Alternative_identifier> (BBL000127)
MFCD05811321

$$$$