-ISIS-  08091621332D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.0458   -0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -1.9333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    2.0250    0.0000 Br  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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <ID> (BBL000324)
BBL000324

>  <Rotatable_Bonds> (BBL000324)
1

>  <logP> (BBL000324)
1.778

>  <PSA> (BBL000324)
43.09

>  <H_Donors> (BBL000324)
2

>  <H_Acceptors> (BBL000324)
1

>  <Number_of_rings> (BBL000324)
1

>  <NAME> (BBL000324)
5-bromo-2-chlorobenzamide

>  <Mol_Weight> (BBL000324)
234.48

>  <Mol_Formula> (BBL000324)
C7H5BrClNO

>  <Smiles> (BBL000324)
Brc1ccc(c(c1)C(=O)N)Cl

>  <Alternative_identifier> (BBL000324)
MFCD00482914

$$$$