-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2917   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917    1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667    1.0042    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  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <ID> (BBL000521)
BBL000521

>  <Rotatable_Bonds> (BBL000521)
2

>  <logP> (BBL000521)
0.474

>  <PSA> (BBL000521)
66.4

>  <H_Donors> (BBL000521)
2

>  <H_Acceptors> (BBL000521)
3

>  <Number_of_rings> (BBL000521)
1

>  <NAME> (BBL000521)
[(2-chlorophenyl)amino](oxo)acetic acid

>  <Mol_Weight> (BBL000521)
183.14

>  <Mol_Formula> (BBL000521)
C8H6FNO3

>  <Smiles> (BBL000521)
OC(=O)C(=O)Nc1ccccc1F

>  <CAS_Number> (BBL000521)
84944-15-0

>  <Alternative_identifier> (BBL000521)
MFCD09864514

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