-ISIS-  08251613502D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.3083    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3083   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  2  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
  2  3  1  0  0  0  0
 12 11  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <ID> (STL331293)
STL331293

>  <Rotatable_Bonds> (STL331293)
3

>  <logP> (STL331293)
4.675

>  <PSA> (STL331293)
70.42

>  <H_Donors> (STL331293)
2

>  <H_Acceptors> (STL331293)
3

>  <Number_of_rings> (STL331293)
3

>  <NAME> (STL331293)
4-hydroxybenzo[h]quinoline-3-carboxylic acid

>  <Mol_Weight> (STL331293)
239.23

>  <Mol_Formula> (STL331293)
C14H9NO3

>  <Smiles> (STL331293)
OC(=O)c1cnc2c(c1O)ccc1c2cccc1

$$$$