Molecule ID: mol17831
SMILES: FC(F)(F)c1nnn[nH]1
InChI: InChI=1S/C2HF3N4/c3-2(4,5)1-6-8-9-7-1/h(H,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -7.00 | AttenGpKa training set | 1 » 0 |
| 1.42 | AttenGpKa training set | 0 » -1 |
| 1.70 | Baltruschat ChEMBL | 0 » -1 |