-ISIS-  08091621332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.0917    0.1792    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.6083    0.6833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1208    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0333   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0583    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2458   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125   -1.8167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
  6  2  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <ID> (BBL000374)
BBL000374

>  <Rotatable_Bonds> (BBL000374)
4

>  <logP> (BBL000374)
1.183

>  <PSA> (BBL000374)
57.61

>  <H_Donors> (BBL000374)
1

>  <H_Acceptors> (BBL000374)
3

>  <Number_of_rings> (BBL000374)
2

>  <NAME> (BBL000374)
1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

>  <Mol_Weight> (BBL000374)
251.26

>  <Mol_Formula> (BBL000374)
C13H14FNO3

>  <Smiles> (BBL000374)
OC(=O)C1CC(=O)N(C1)CCc1ccc(cc1)F

>  <Alternative_identifier> (BBL000374)
MFCD07186388

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