-ISIS-  08091621332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.4333    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.5000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4375    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    3.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    3.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4458   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -2.4917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.4917    0.0000 F   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  1  0  0  0  0
 10  9  2  0  0  0  0
 11 15  2  0  0  0  0
 12  6  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  2  0  0  0  0
 15 14  1  0  0  0  0
 16 10  1  0  0  0  0
 17  6  1  0  0  0  0
 18 11  1  0  0  0  0
  5  4  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <ID> (BBL000874)
BBL000874

>  <Rotatable_Bonds> (BBL000874)
2

>  <logP> (BBL000874)
0.245

>  <PSA> (BBL000874)
69.97

>  <H_Donors> (BBL000874)
1

>  <H_Acceptors> (BBL000874)
3

>  <Number_of_rings> (BBL000874)
2

>  <NAME> (BBL000874)
1-(3,4-difluorophenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid

>  <Mol_Weight> (BBL000874)
252.18

>  <Mol_Formula> (BBL000874)
C11H6F2N2O3

>  <Smiles> (BBL000874)
OC(=O)c1nn(ccc1=O)c1ccc(c(c1)F)F

>  <Alternative_identifier> (BBL000874)
MFCD18804071

$$$$