Molecule ID: mol4891
SMILES: Oc1nc(C(F)(F)F)nc2nc[nH]c12
InChI: InChI=1S/C6H3F3N4O/c7-6(8,9)5-12-3-2(4(14)13-5)10-1-11-3/h1H,(H2,10,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.10 | IUPAC digitized pKa | 1 » 0 |
| 1.10 | Datawarrior | 1 » 0 |
| 1.10 | OCHEM | 1 » 0 |
| 5.10 | OCHEM | 0 » -1 |
| 5.10 | IUPAC digitized pKa | 0 » -1 |
| 5.10 | Datawarrior | 0 » -1 |
| 11.20 | IUPAC digitized pKa | -1 » -2 |
| 11.20 | Datawarrior | -1 » -2 |