-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.7292   -0.0125    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.2667   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2417    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0792   -1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9417    1.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    1.7250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.7417    0.0000 O   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  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  2  0  0  0  0
 11  6  2  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  6  1  0  0  0  0
  7  8  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <ID> (BBL000751)
BBL000751

>  <Rotatable_Bonds> (BBL000751)
1

>  <logP> (BBL000751)
0.531

>  <PSA> (BBL000751)
57.61

>  <H_Donors> (BBL000751)
1

>  <H_Acceptors> (BBL000751)
3

>  <Number_of_rings> (BBL000751)
2

>  <NAME> (BBL000751)
1-(5-chloro-2-hydroxyphenyl)pyrrolidine-2,5-dione

>  <Mol_Weight> (BBL000751)
225.63

>  <Mol_Formula> (BBL000751)
C10H8ClNO3

>  <Smiles> (BBL000751)
O=C1CCC(=O)N1c1cc(Cl)ccc1O

>  <Alternative_identifier> (BBL000751)
MFCD00455523

$$$$