-ISIS-  08091621332D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0583    0.0083    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5250   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    0.4958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4708   -0.4917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3333   -0.9917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3333    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0583    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -0.4917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1958    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0750    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5583    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5583   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5583    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    1.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083   -1.1917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0583    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5583   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0583    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583    1.7375    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  2  0  0  0  0
 21 19  1  0  0  0  0
 22 12  1  0  0  0  0
  4  5  1  0  0  0  0
 19 16  2  0  0  0  0
 11  6  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <ID> (BBL000736)
BBL000736

>  <Rotatable_Bonds> (BBL000736)
1

>  <logP> (BBL000736)
1.864

>  <PSA> (BBL000736)
57.61

>  <H_Donors> (BBL000736)
1

>  <H_Acceptors> (BBL000736)
3

>  <Number_of_rings> (BBL000736)
4

>  <NAME> (BBL000736)
5,6-dibromo-2-(4-hydroxy-2-methylphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

>  <Mol_Weight> (BBL000736)
429.11

>  <Mol_Formula> (BBL000736)
C16H15Br2NO3

>  <Smiles> (BBL000736)
BrC1C(Br)C2CC1C1C2C(=O)N(C1=O)c1ccc(cc1C)O

>  <Alternative_identifier> (BBL000736)
MFCD05098758

$$$$