-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.7292   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.0083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.0083    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  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8 12  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
  8 13  2  0  0  0  0
M  END
>  <ID> (BBL000519)
BBL000519

>  <Rotatable_Bonds> (BBL000519)
2

>  <logP> (BBL000519)
0.956

>  <PSA> (BBL000519)
66.4

>  <H_Donors> (BBL000519)
2

>  <H_Acceptors> (BBL000519)
3

>  <Number_of_rings> (BBL000519)
1

>  <NAME> (BBL000519)
[(4-fluorophenyl)amino](oxo)acetic acid

>  <Mol_Weight> (BBL000519)
183.14

>  <Mol_Formula> (BBL000519)
C8H6FNO3

>  <Smiles> (BBL000519)
O=C(C(=O)O)Nc1ccc(cc1)F

>  <CAS_Number> (BBL000519)
69066-43-9

>  <Alternative_identifier> (BBL000519)
MFCD09864524

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