Molecule ID: mol33030
SMILES: CC(CC(N)C(=O)O)C(F)(F)F
InChI: InChI=1S/C6H10F3NO2/c1-3(6(7,8)9)2-4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.04 | QSARToolbox | 1 » 0 |
| 2.05 | OCHEM | 1 » 0 |
| 2.45 | QSARToolbox | 1 » 0 |
| 2.45 | QSARToolbox | 1 » 0 |
| 8.90 | OCHEM | 0 » -1 |
| 8.94 | QSARToolbox | 0 » -1 |