-ISIS-  08251614182D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.2875    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542    1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    3.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958   -1.2458    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4292   -0.2500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2875    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    3.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292    3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8875    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8875    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7542    1.2583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -3.2583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14  3  2  0  0  0  0
 15  6  2  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  1  0  0  0  0
 20 11  1  0  0  0  0
 21 23  1  0  0  0  0
 22 20  2  0  0  0  0
 23 17  2  0  0  0  0
 24 16  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
  6  4  1  0  0  0  0
 12  7  1  0  0  0  0
 15 22  1  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <ID> (STK583376)
STK583376

>  <Rotatable_Bonds> (STK583376)
1

>  <logP> (STK583376)
4.64

>  <PSA> (STK583376)
32.78

>  <H_Donors> (STK583376)
0

>  <H_Acceptors> (STK583376)
2

>  <Number_of_rings> (STK583376)
4

>  <NAME> (STK583376)
6-chloro-4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2H-chromen-2-one

>  <Mol_Weight> (STK583376)
372.83

>  <Mol_Formula> (STK583376)
C20H18ClFN2O2

>  <Smiles> (STK583376)
Fc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1cc(Cl)cc2

$$$$