-ISIS-  08091621332D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.8708   -0.7542    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.8625    0.2417    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.7292    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.2417    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
   -0.0042    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.7542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    2.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  2  0  0  0  0
 13 15  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  2  0  0  0  0
 16 13  1  0  0  0  0
 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
  2 10  1  0  0  0  0
 13  6  2  0  0  0  0
M  END
>  <ID> (BBL000086)
BBL000086

>  <Rotatable_Bonds> (BBL000086)
2

>  <logP> (BBL000086)
1.947

>  <PSA> (BBL000086)
49.57

>  <H_Donors> (BBL000086)
2

>  <H_Acceptors> (BBL000086)
1

>  <Number_of_rings> (BBL000086)
2

>  <NAME> (BBL000086)
1-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]butan-1-one

>  <Mol_Weight> (BBL000086)
281.79

>  <Mol_Formula> (BBL000086)
C14H20ClN3O

>  <Smiles> (BBL000086)
CCCC(=O)N1CCN(CC1)c1ccc(cc1Cl)N

>  <Alternative_identifier> (BBL000086)
MFCD03999526

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