Molecule ID: mol22267
SMILES: CC(Cl)C(O)C(=O)O
InChI: InChI=1S/C4H7ClO3/c1-2(5)3(6)4(7)8/h2-3,6H,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.08 | QSARToolbox | 0 » -1 |
| 3.08 | OCHEM | 0 » -1 |
| 3.08 | AttenGpKa training set | 0 » -1 |
| 3.80 | QSARToolbox | 0 » -1 |
| 3.80 | QSARToolbox | 0 » -1 |