-ISIS-  08091621332D

 18 19  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
    0.0042   -0.9958    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
    0.8667    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
   -1.7250   -1.9958    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
    0.8750   -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  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12  6  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16  6  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
  5  4  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <ID> (BBL000869)
BBL000869

>  <Rotatable_Bonds> (BBL000869)
2

>  <logP> (BBL000869)
1.152

>  <PSA> (BBL000869)
69.97

>  <H_Donors> (BBL000869)
1

>  <H_Acceptors> (BBL000869)
3

>  <Number_of_rings> (BBL000869)
2

>  <NAME> (BBL000869)
1-(3,4-dimethylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid

>  <Mol_Weight> (BBL000869)
244.25

>  <Mol_Formula> (BBL000869)
C13H12N2O3

>  <Smiles> (BBL000869)
OC(=O)c1nn(ccc1=O)c1ccc(c(c1)C)C

>  <Alternative_identifier> (BBL000869)
MFCD08753944

$$$$