Molecule ID: mol5271
SMILES: NC(CC(=O)O)C(F)(F)F
InChI: InChI=1S/C4H6F3NO2/c5-4(6,7)2(8)1-3(9)10/h2H,1,8H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.76 | QSARToolbox | 1 » 0 |
| 2.76 | QSARToolbox | 1 » 0 |
| 2.76 | QSARToolbox | 1 » 0 |
| 2.76 | IUPAC digitized pKa | 1 » 0 |
| 5.80 | OCHEM | 0 » -1 |
| 5.82 | QSARToolbox | 0 » -1 |
| 5.83 | IUPAC digitized pKa | 0 » -1 |