-ISIS-  08091621332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.1583   -1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.7458    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.4292    0.2542    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.3000    0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.7708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3000    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -2.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.7458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    2.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250   -1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 12  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  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  1  2  0  0  0  0
 14 16  1  0  0  0  0
 15  5  1  0  0  0  0
 16  8  2  0  0  0  0
 17 14  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
  3 11  1  0  0  0  0
 14  6  2  0  0  0  0
M  END
>  <ID> (BBL000334)
BBL000334

>  <Rotatable_Bonds> (BBL000334)
0

>  <logP> (BBL000334)
2.112

>  <PSA> (BBL000334)
49.57

>  <H_Donors> (BBL000334)
2

>  <H_Acceptors> (BBL000334)
1

>  <Number_of_rings> (BBL000334)
2

>  <NAME> (BBL000334)
1-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

>  <Mol_Weight> (BBL000334)
295.81

>  <Mol_Formula> (BBL000334)
C15H22ClN3O

>  <Smiles> (BBL000334)
Nc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)C(C)(C)C

>  <Alternative_identifier> (BBL000334)
MFCD07189417

$$$$