Molecule ID: mol15497
SMILES: CC(=O)c1cc(F)cc(NC(=O)c2nnn[nH]2)c1O
InChI: InChI=1S/C10H8FN5O3/c1-4(17)6-2-5(11)3-7(8(6)18)12-10(19)9-13-15-16-14-9/h2-3,18H,1H3,(H,12,19)(H,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.36 | OCHEM | 0 » -1 |
| 2.36 | Datawarrior | 0 » -1 |
| 8.69 | QSARToolbox | -1 » -2 |
| 8.69 | Datawarrior | -1 » -2 |