-ISIS-  08251613502D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.3042    0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -1.2583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1625    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
  8  4  1  0  0  0  0
M  END
>  <ID> (STL372786)
STL372786

>  <Rotatable_Bonds> (STL372786)
4

>  <logP> (STL372786)
3.296

>  <PSA> (STL372786)
26.3

>  <H_Donors> (STL372786)
0

>  <H_Acceptors> (STL372786)
2

>  <Number_of_rings> (STL372786)
1

>  <NAME> (STL372786)
1-[4-(propan-2-yloxy)phenyl]pentan-2-one

>  <Mol_Weight> (STL372786)
220.31

>  <Mol_Formula> (STL372786)
C14H20O2

>  <Smiles> (STL372786)
CCCC(=O)Cc1ccc(cc1)OC(C)C

$$$$