Molecule ID: mol14061
SMILES: NNC(=O)C(F)(F)C(F)(F)F
InChI: InChI=1S/C3H3F5N2O/c4-2(5,1(11)10-9)3(6,7)8/h9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.92 | Datawarrior | 0 » -1 |
| 7.92 | AttenGpKa training set | 0 » -1 |
| 7.92 | QSARToolbox | 0 » -1 |
| 7.92 | OCHEM | 0 » -1 |