Molecule ID: mol22585
SMILES: O=C(O)[C@@H](Cl)[C@@H](Cl)C(=O)O
InChI: InChI=1S/C4H4Cl2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)/t1-,2+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.49 | QSARToolbox | 0 » -1 |
| 1.52 | QSARToolbox | 0 » -1 |
| 1.74 | AttenGpKa training set | 0 » -1 |
| 3.24 | AttenGpKa training set | -1 » -2 |