-ISIS-  08251614122D

 29 33  0  0  0  0  0  0  0  0999 V2000
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   -2.7958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750   -0.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    1.8000    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4083   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.4833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -5.3958   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7458   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -2.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -2.1292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -0.3792    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  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8 16  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  1  1  0  0  0  0
 14  3  2  0  0  0  0
 15  2  2  0  0  0  0
 16 23  1  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
 20  8  2  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 10  1  0  0  0  0
 26 19  1  0  0  0  0
 27 11  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
  4  5  1  0  0  0  0
 16 24  1  0  0  0  0
 12  7  1  0  0  0  0
 18 17  1  0  0  0  0
 29 19  2  0  0  0  0
M  END
>  <ID> (STK382328)
STK382328

>  <Rotatable_Bonds> (STK382328)
1

>  <logP> (STK382328)
3.401

>  <PSA> (STK382328)
66.48

>  <H_Donors> (STK382328)
1

>  <H_Acceptors> (STK382328)
3

>  <Number_of_rings> (STK382328)
5

>  <NAME> (STK382328)
N-(2,3-dichlorophenyl)-4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)cyclohexanecarboxamide

>  <Mol_Weight> (STK382328)
435.35

>  <Mol_Formula> (STK382328)
C22H24Cl2N2O3

>  <Smiles> (STK382328)
O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1CC2CC1)Nc1cccc(c1Cl)Cl

$$$$