-ISIS-  08251613552D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.3042   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  2  0  0  0  0
 15 13  1  0  0  0  0
  3  7  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <ID> (STK984503)
STK984503

>  <Rotatable_Bonds> (STK984503)
3

>  <logP> (STK984503)
3.905

>  <PSA> (STK984503)
70.42

>  <H_Donors> (STK984503)
2

>  <H_Acceptors> (STK984503)
3

>  <Number_of_rings> (STK984503)
2

>  <NAME> (STK984503)
4-hydroxy-6-methylquinoline-3-carboxylic acid

>  <Mol_Weight> (STK984503)
203.20

>  <Mol_Formula> (STK984503)
C11H9NO3

>  <Smiles> (STK984503)
Cc1ccc2c(c1)c(O)c(cn2)C(=O)O

$$$$