-ISIS-  08251614012D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.7292   -0.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.8667   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -0.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3250    1.4917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583   -0.0083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5958    1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3208   -0.5125    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  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8 14  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 15  3  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 17 15  1  0  0  0  0
  8 13  2  0  0  0  0
M  END
>  <ID> (STK812997)
STK812997

>  <Rotatable_Bonds> (STK812997)
2

>  <logP> (STK812997)
3.601

>  <PSA> (STK812997)
29.54

>  <H_Donors> (STK812997)
0

>  <H_Acceptors> (STK812997)
2

>  <Number_of_rings> (STK812997)
2

>  <NAME> (STK812997)
2-(4-bromophenoxy)-1-(3-methylpiperidin-1-yl)ethanone

>  <Mol_Weight> (STK812997)
312.21

>  <Mol_Formula> (STK812997)
C14H18BrNO2

>  <Smiles> (STK812997)
CC1CCCN(C1)C(=O)COc1ccc(cc1)Br

$$$$