Molecule ID: mol13330
SMILES: NNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChI: InChI=1S/C4H3F7N2O/c5-2(6,1(14)13-12)3(7,8)4(9,10)11/h12H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.02 | Datawarrior | 0 » -1 |
| 8.02 | AttenGpKa training set | 0 » -1 |
| 8.02 | QSARToolbox | 0 » -1 |
| 8.02 | OCHEM | 0 » -1 |