-ISIS-  08251615032D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0417    1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792   -0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708   -0.6208    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  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 13  9  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <ID> (STL199168)
STL199168

>  <Rotatable_Bonds> (STL199168)
0

>  <logP> (STL199168)
4.21

>  <PSA> (STL199168)
9.23

>  <H_Donors> (STL199168)
0

>  <H_Acceptors> (STL199168)
1

>  <Number_of_rings> (STL199168)
2

>  <NAME> (STL199168)
1,1'-oxydibenzene

>  <Mol_Weight> (STL199168)
170.21

>  <Mol_Formula> (STL199168)
C12H10O

>  <Smiles> (STL199168)
c1ccc(cc1)Oc1ccccc1

$$$$