-ISIS-  08091621332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.1042    0.3958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4042    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4667   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4667    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1292    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1292   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    2.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667   -1.6292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667    2.3708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9917    1.3833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9917   -0.6417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  2  0  0  0  0
 10  1  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14  4  2  0  0  0  0
 15  5  2  0  0  0  0
 16 11  2  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
 20  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  2  0  0  0  0
 23 24  2  0  0  0  0
 24 22  1  0  0  0  0
  3  2  2  0  0  0  0
 13 23  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <ID> (BBL000843)
BBL000843

>  <Rotatable_Bonds> (BBL000843)
2

>  <logP> (BBL000843)
4.033

>  <PSA> (BBL000843)
74.68

>  <H_Donors> (BBL000843)
1

>  <H_Acceptors> (BBL000843)
4

>  <Number_of_rings> (BBL000843)
3

>  <NAME> (BBL000843)
3-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid

>  <Mol_Weight> (BBL000843)
405.02

>  <Mol_Formula> (BBL000843)
C15H5Cl4NO4

>  <Smiles> (BBL000843)
O=C1N(c2cccc(c2)C(=O)O)C(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl

>  <Alternative_identifier> (BBL000843)
MFCD01046754

$$$$