Molecule ID: mol33031
SMILES: NC(CCC(F)(F)F)C(=O)O
InChI: InChI=1S/C5H8F3NO2/c6-5(7,8)2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.04 | QSARToolbox | 1 » 0 |
| 2.04 | OCHEM | 1 » 0 |
| 2.42 | QSARToolbox | 1 » 0 |
| 2.42 | QSARToolbox | 1 » 0 |
| 8.90 | OCHEM | 0 » -1 |
| 8.92 | QSARToolbox | 0 » -1 |