Molecule ID: mol29315
SMILES: NC(C(=O)O)C(F)(F)F
InChI: InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.20 | AttenGpKa training set | 1 » 0 |
| 2.30 | QSARToolbox | 1 » 0 |
| 2.30 | QSARToolbox | 1 » 0 |
| 5.30 | AttenGpKa training set | 0 » -1 |
| 5.60 | QSARToolbox | 0 » -1 |