-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.3542    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0958    0.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  2  0  0  0  0
 14 11  2  0  0  0  0
 15 13  1  0  0  0  0
  3  7  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <ID> (BBL005479)
BBL005479

>  <Rotatable_Bonds> (BBL005479)
2

>  <logP> (BBL005479)
2.738

>  <PSA> (BBL005479)
66.4

>  <H_Donors> (BBL005479)
2

>  <H_Acceptors> (BBL005479)
3

>  <Number_of_rings> (BBL005479)
2

>  <NAME> (BBL005479)
6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

>  <Mol_Weight> (BBL005479)
203.20

>  <Mol_Formula> (BBL005479)
C11H9NO3

>  <Smiles> (BBL005479)
Cc1ccc2c(c1)c(=O)c(c[nH]2)C(=O)O

>  <CAS_Number> (BBL005479)
51726-39-7

>  <Alternative_identifier> (BBL005479)
MFCD01817588

$$$$