Molecule ID: mol22266
SMILES: CC(O)(CCl)C(=O)O
InChI: InChI=1S/C4H7ClO3/c1-4(8,2-5)3(6)7/h8H,2H2,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | OCHEM | 0 » -1 |
| 3.20 | AttenGpKa training set | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |