-ISIS-  08251614582D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.8417   -0.2958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4250   -1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    0.7958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
>  <ID> (STK399767)
STK399767

>  <Rotatable_Bonds> (STK399767)
4

>  <logP> (STK399767)
2.205

>  <PSA> (STK399767)
44.12

>  <H_Donors> (STK399767)
0

>  <H_Acceptors> (STK399767)
2

>  <Number_of_rings> (STK399767)
1

>  <NAME> (STK399767)
ethyl (4-chloro-3-methyl-1H-pyrazol-1-yl)acetate

>  <Mol_Weight> (STK399767)
202.64

>  <Mol_Formula> (STK399767)
C8H11ClN2O2

>  <Smiles> (STK399767)
CCOC(=O)Cn1cc(c(n1)C)Cl

$$$$