-ISIS-  08091621332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4958    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4958    0.8708    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5083    0.8708    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5083    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9958   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9958   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9958    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4958    0.8708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    0.8708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4958   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9958   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 14  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  2  0  0  0  0
  9  2  2  0  0  0  0
 10  1  2  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 17  2  0  0  0  0
 16  6  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19  2  1  0  0  0  0
 20 15  1  0  0  0  0
 21  9  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
 13  4  1  0  0  0  0
 23 21  2  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <ID> (BBL000096)
BBL000096

>  <Rotatable_Bonds> (BBL000096)
1

>  <logP> (BBL000096)
0.998

>  <PSA> (BBL000096)
49.57

>  <H_Donors> (BBL000096)
2

>  <H_Acceptors> (BBL000096)
1

>  <Number_of_rings> (BBL000096)
3

>  <NAME> (BBL000096)
[4-(2-amino-4-chlorophenyl)piperazin-1-yl](2-fluorophenyl)methanone

>  <Mol_Weight> (BBL000096)
333.79

>  <Mol_Formula> (BBL000096)
C17H17ClFN3O

>  <Smiles> (BBL000096)
Clc1ccc(c(c1)N)N1CCN(CC1)C(=O)c1ccccc1F

>  <Alternative_identifier> (BBL000096)
MFCD07613586

$$$$