-ISIS-  08091621332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.7333   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6083   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6083   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    0.0125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4708   -2.9917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    2.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    1.9875    0.0000 C   0  0  0  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
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  2  0  0  0  0
 11  3  2  0  0  0  0
 12  1  1  0  0  0  0
 13 15  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16  4  1  0  0  0  0
 17 11  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
  9 14  2  0  0  0  0
  8 13  1  0  0  0  0
M  END
>  <ID> (BBL000093)
BBL000093

>  <Rotatable_Bonds> (BBL000093)
6

>  <logP> (BBL000093)
3.63

>  <PSA> (BBL000093)
38.69

>  <H_Donors> (BBL000093)
1

>  <H_Acceptors> (BBL000093)
3

>  <Number_of_rings> (BBL000093)
2

>  <NAME> (BBL000093)
{4-[(2,4-dichlorobenzyl)oxy]-3-methoxyphenyl}methanol

>  <Mol_Weight> (BBL000093)
313.18

>  <Mol_Formula> (BBL000093)
C15H14Cl2O3

>  <Smiles> (BBL000093)
COc1cc(CO)ccc1OCc1ccc(cc1Cl)Cl

>  <Alternative_identifier> (BBL000093)
MFCD05039674

$$$$