Molecule ID: mol4856
SMILES: Nc1nc(C(F)(F)F)c2[nH]cnc2n1
InChI: InChI=1S/C6H4F3N5/c7-6(8,9)3-2-4(12-1-11-2)14-5(10)13-3/h1H,(H3,10,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.85 | IUPAC digitized pKa | 1 » 0 |
| 1.85 | Datawarrior | 1 » 0 |
| 1.85 | OCHEM | 1 » 0 |
| 8.87 | OCHEM | 0 » -1 |
| 8.87 | IUPAC digitized pKa | 0 » -1 |
| 8.87 | Datawarrior | 0 » -1 |