Molecule ID: mol15498
SMILES: CC(=O)c1cc(F)cc(C(=O)Nc2nnn[nH]2)c1O
InChI: InChI=1S/C10H8FN5O3/c1-4(17)6-2-5(11)3-7(8(6)18)9(19)12-10-13-15-16-14-10/h2-3,18H,1H3,(H2,12,13,14,15,16,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | OCHEM | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | Datawarrior | 0 » -1 |
| 7.10 | Datawarrior | -1 » -2 |