-ISIS-  08251613502D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    2.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.2500    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  4  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 12  8  1  0  0  0  0
M  END
>  <ID> (STL372960)
STL372960

>  <Rotatable_Bonds> (STL372960)
3

>  <logP> (STL372960)
1.354

>  <PSA> (STL372960)
26.3

>  <H_Donors> (STL372960)
0

>  <H_Acceptors> (STL372960)
2

>  <Number_of_rings> (STL372960)
1

>  <NAME> (STL372960)
1-(2-methoxyphenyl)propan-2-one

>  <Mol_Weight> (STL372960)
164.20

>  <Mol_Formula> (STL372960)
C10H12O2

>  <Smiles> (STL372960)
COc1ccccc1CC(=O)C

$$$$