Molecule ID: mol2312
SMILES: CC(Cl)(Cl)C(=O)O
InChI: InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.74 | OCHEM | 0 » -1 |
| 1.74 | Hunt | 0 » -1 |
| 1.79 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.79 | OCHEM | 0 » -1 |
| 1.79 | OCHEM | 0 » -1 |
| 1.79 | OCHEM | 0 » -1 |
| 1.79 | OCHEM | 0 » -1 |
| 2.06 | QSARToolbox | 0 » -1 |
| 2.06 | OCHEM | 0 » -1 |
| 2.06 | OCHEM | 0 » -1 |
| 2.06 | AttenGpKa training set | 0 » -1 |