-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.8417   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417   -2.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0417   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0042    0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -0.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292    1.5083    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  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
  6  4  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <ID> (BBL008558)
BBL008558

>  <Rotatable_Bonds> (BBL008558)
5

>  <logP> (BBL008558)
1.789

>  <PSA> (BBL008558)
72.56

>  <H_Donors> (BBL008558)
1

>  <H_Acceptors> (BBL008558)
4

>  <Number_of_rings> (BBL008558)
2

>  <NAME> (BBL008558)
5-[(2-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid

>  <Mol_Weight> (BBL008558)
237.19

>  <Mol_Formula> (BBL008558)
C11H8FNO4

>  <Smiles> (BBL008558)
Fc1ccccc1OCc1onc(c1)C(=O)O

>  <Alternative_identifier> (BBL008558)
MFCD09832463

$$$$