Molecule ID: mol9123
SMILES: O=C(O)CC(=O)C(=O)O
InChI: InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.22 | IUPAC digitized pKa | 0 » -1 |
| 2.22 | AttenGpKa training set | 0 » -1 |
| 2.22 | QSARToolbox | 0 » -1 |
| 2.55 | QSARToolbox | 0 » -1 |
| 2.55 | QSARToolbox | 0 » -1 |
| 2.55 | QSARToolbox | 0 » -1 |
| 2.55 | OCHEM | 0 » -1 |
| 2.55 | OCHEM | 0 » -1 |
| 2.56 | QSARToolbox | 0 » -1 |
| 2.56 | OCHEM | 0 » -1 |
| 2.56 | OCHEM | 0 » -1 |
| 3.55 | QSARToolbox | -1 » -2 |
| 3.89 | IUPAC digitized pKa | -1 » -2 |
| 3.89 | AttenGpKa training set | -1 » -2 |
| 3.89 | QSARToolbox | -1 » -2 |
| 4.20 | OCHEM | -1 » -2 |
| 4.36 | QSARToolbox | -1 » -2 |
| 4.37 | QSARToolbox | -1 » -2 |
| 4.37 | QSARToolbox | -1 » -2 |
| 13.00 | IUPAC digitized pKa | -2 » -3 |