Molecule ID: mol4912
SMILES: FC(F)(F)c1nc2ncncc2[nH]1
InChI: InChI=1S/C6H3F3N4/c7-6(8,9)5-12-3-1-10-2-11-4(3)13-5/h1-2H,(H,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | IUPAC digitized pKa | 1 » 0 |
| 1.00 | Datawarrior | 1 » 0 |
| 1.00 | OCHEM | 1 » 0 |
| 5.12 | OCHEM | 0 » -1 |
| 5.12 | IUPAC digitized pKa | 0 » -1 |
| 5.12 | Datawarrior | 0 » -1 |