-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.8708   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042    2.0083    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7833   -1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  2  0  0  0  0
 15 13  2  0  0  0  0
  4  7  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <ID> (BBL000671)
BBL000671

>  <Rotatable_Bonds> (BBL000671)
3

>  <logP> (BBL000671)
4.344

>  <PSA> (BBL000671)
57.53

>  <H_Donors> (BBL000671)
2

>  <H_Acceptors> (BBL000671)
3

>  <Number_of_rings> (BBL000671)
2

>  <NAME> (BBL000671)
4-bromo-1-hydroxynaphthalene-2-carboxylic acid

>  <Mol_Weight> (BBL000671)
267.08

>  <Mol_Formula> (BBL000671)
C11H7BrO3

>  <Smiles> (BBL000671)
OC(=O)c1cc(Br)c2c(c1O)cccc2

>  <Alternative_identifier> (BBL000671)
MFCD00021504

$$$$