-ISIS-  08091621332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.4958    0.4333    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.4958    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.4333    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5083    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9958    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9958   -0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9958   -0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9958    1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    0.4333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9958   -0.4333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4958   -1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4958    0.4333    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  2  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  2  1  0  0  0  0
 13  2  2  0  0  0  0
 14 16  2  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 10  3  1  0  0  0  0
 14  6  1  0  0  0  0
M  END
>  <ID> (BBL000095)
BBL000095

>  <Rotatable_Bonds> (BBL000095)
2

>  <logP> (BBL000095)
2.07

>  <PSA> (BBL000095)
49.57

>  <H_Donors> (BBL000095)
2

>  <H_Acceptors> (BBL000095)
1

>  <Number_of_rings> (BBL000095)
2

>  <NAME> (BBL000095)
1-[4-(2-amino-4-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one

>  <Mol_Weight> (BBL000095)
295.81

>  <Mol_Formula> (BBL000095)
C15H22ClN3O

>  <Smiles> (BBL000095)
CC(CC(=O)N1CCN(CC1)c1ccc(cc1N)Cl)C

>  <Alternative_identifier> (BBL000095)
MFCD07613588

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