-ISIS-  08251613552D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.2958   -0.4500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4792    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.4958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9125   -1.3958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2375   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4208    0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -1.1042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1833   -0.2125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5125    1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -2.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9833   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5458    2.1583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7958   -1.7625    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  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14  6  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  1  0  0  0  0
  4  5  1  0  0  0  0
 18 19  1  0  0  0  0
  9  8  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <ID> (STK279077)
STK279077

>  <Rotatable_Bonds> (STK279077)
0

>  <logP> (STK279077)
3.204

>  <PSA> (STK279077)
37.38

>  <H_Donors> (STK279077)
0

>  <H_Acceptors> (STK279077)
2

>  <Number_of_rings> (STK279077)
5

>  <NAME> (STK279077)
2-(5-chloro-2-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione

>  <Mol_Weight> (STK279077)
301.77

>  <Mol_Formula> (STK279077)
C17H16ClNO2

>  <Smiles> (STK279077)
O=C1C2C3CCC(C2C(=O)N1c1cc(Cl)ccc1C)C=C3

$$$$