Molecule ID: mol9848
SMILES: O=c1[nH]cnc2nc(C(F)(F)F)[nH]c12
InChI: InChI=1S/C6H3F3N4O/c7-6(8,9)5-12-2-3(13-5)10-1-11-4(2)14/h1H,(H2,10,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.10 | QSARToolbox | 1 » 0 |
| 10.90 | IUPAC digitized pKa | -1 » -2 |