-ISIS-  08251614012D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.6708    0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    0.0250    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.8083   -0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458    0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7458    1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875   -1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2500   -1.5958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -1.6250    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  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 18  2  0  0  0  0
 13 12  1  0  0  0  0
 14  2  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 14  1  0  0  0  0
  7  4  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <ID> (STK516816)
STK516816

>  <Rotatable_Bonds> (STK516816)
3

>  <logP> (STK516816)
2.569

>  <PSA> (STK516816)
56.15

>  <H_Donors> (STK516816)
1

>  <H_Acceptors> (STK516816)
2

>  <Number_of_rings> (STK516816)
2

>  <NAME> (STK516816)
2-(4-chlorophenoxy)-N-(1-ethyl-1H-pyrazol-5-yl)acetamide

>  <Mol_Weight> (STK516816)
279.73

>  <Mol_Formula> (STK516816)
C13H14ClN3O2

>  <Smiles> (STK516816)
CCn1nccc1NC(=O)COc1ccc(cc1)Cl

$$$$