-ISIS-  08091621332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0042   -0.2417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0083   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4958    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9958   -0.2417    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  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14  7  2  0  0  0  0
 15 13  1  0  0  0  0
 16 11  2  0  0  0  0
 14 16  1  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <ID> (BBL005659)
BBL005659

>  <Rotatable_Bonds> (BBL005659)
3

>  <logP> (BBL005659)
1.9

>  <PSA> (BBL005659)
40.46

>  <H_Donors> (BBL005659)
2

>  <H_Acceptors> (BBL005659)
2

>  <Number_of_rings> (BBL005659)
2

>  <NAME> (BBL005659)
1,1-diphenylethane-1,2-diol

>  <Mol_Weight> (BBL005659)
214.26

>  <Mol_Formula> (BBL005659)
C14H14O2

>  <Smiles> (BBL005659)
OCC(c1ccccc1)(c1ccccc1)O

>  <Alternative_identifier> (BBL005659)
MFCD00087701

$$$$