Molecule ID: mol9213
SMILES: CC(Cl)CC(=O)O
InChI: InChI=1S/C4H7ClO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.05 | QSARToolbox | 0 » -1 |
| 4.17 | AttenGpKa training set | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | OCHEM | 0 » -1 |