-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.5000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8708    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    3.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -3.4958    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  7  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
  5  4  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <ID> (BBL000867)
BBL000867

>  <Rotatable_Bonds> (BBL000867)
2

>  <logP> (BBL000867)
0.692

>  <PSA> (BBL000867)
69.97

>  <H_Donors> (BBL000867)
1

>  <H_Acceptors> (BBL000867)
3

>  <Number_of_rings> (BBL000867)
2

>  <NAME> (BBL000867)
1-(4-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid

>  <Mol_Weight> (BBL000867)
230.22

>  <Mol_Formula> (BBL000867)
C12H10N2O3

>  <Smiles> (BBL000867)
Cc1ccc(cc1)n1ccc(=O)c(n1)C(=O)O

>  <Alternative_identifier> (BBL000867)
MFCD01871601

$$$$