Molecule ID: mol22231
SMILES: O=C(O)C(O)CCl
InChI: InChI=1S/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.12 | QSARToolbox | 0 » -1 |
| 3.12 | QSARToolbox | 0 » -1 |
| 3.12 | QSARToolbox | 0 » -1 |
| 3.12 | OCHEM | 0 » -1 |
| 3.12 | AttenGpKa training set | 0 » -1 |