Molecule ID: mol9130
SMILES: CC(C(=O)O)C(=O)O
InChI: InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.50 | IUPAC digitized pKa | 0 » -1 |
| 2.50 | QSARToolbox | 0 » -1 |
| 3.01 | AttenGpKa training set | 0 » -1 |
| 3.05 | QSARToolbox | 0 » -1 |
| 3.05 | QSARToolbox | 0 » -1 |
| 3.05 | IUPAC digitized pKa | 0 » -1 |
| 3.07 | QSARToolbox | 0 » -1 |
| 3.07 | QSARToolbox | 0 » -1 |
| 3.07 | OCHEM | 0 » -1 |
| 3.07 | OCHEM | 0 » -1 |
| 3.12 | QSARToolbox | 0 » -1 |
| 3.12 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.12 | OCHEM | 0 » -1 |
| 3.12 | OCHEM | 0 » -1 |
| 3.12 | OCHEM | 0 » -1 |
| 3.12 | OCHEM | 0 » -1 |
| 3.36 | OCHEM | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.70 | QSARToolbox | -1 » -2 |
| 5.50 | OCHEM | -1 » -2 |
| 5.61 | AttenGpKa training set | -1 » -2 |
| 5.76 | IUPAC digitized pKa | -1 » -2 |
| 5.76 | QSARToolbox | -1 » -2 |
| 5.76 | QSARToolbox | -1 » -2 |
| 5.76 | QSARToolbox | -1 » -2 |
| 5.78 | IUPAC digitized pKa | -1 » -2 |
| 5.78 | QSARToolbox | -1 » -2 |
| 5.87 | QSARToolbox | -1 » -2 |