-ISIS-  08091621332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.4333    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.5042    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3000    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.5083    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
   -1.3000    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    2.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    2.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14 16  2  0  0  0  0
 15 11  2  0  0  0  0
 16 12  1  0  0  0  0
 17  5  2  0  0  0  0
 18  6  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
  4  6  1  0  0  0  0
 14 15  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <ID> (BBL000413)
BBL000413

>  <Rotatable_Bonds> (BBL000413)
2

>  <logP> (BBL000413)
1.63

>  <PSA> (BBL000413)
79.2

>  <H_Donors> (BBL000413)
1

>  <H_Acceptors> (BBL000413)
4

>  <Number_of_rings> (BBL000413)
3

>  <NAME> (BBL000413)
3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid

>  <Mol_Weight> (BBL000413)
296.28

>  <Mol_Formula> (BBL000413)
C16H12N2O4

>  <Smiles> (BBL000413)
COc1ccc(cc1)n1nc(C(=O)O)c2c(c1=O)cccc2

>  <Alternative_identifier> (BBL000413)
MFCD00138614

$$$$