Molecule ID: mol9128
SMILES: CC(=O)CC(=O)O
InChI: InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.25 | QSARToolbox | 0 » -1 |
| 2.91 | QSARToolbox | 0 » -1 |
| 2.91 | QSARToolbox | 0 » -1 |
| 3.09 | OCHEM | 0 » -1 |
| 3.09 | Datawarrior | 0 » -1 |
| 3.58 | QSARToolbox | 0 » -1 |
| 3.58 | AttenGpKa training set | 0 » -1 |
| 3.59 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.65 | QSARToolbox | 0 » -1 |
| 14.10 | QSARToolbox | -1 » -2 |
| 15.43 | AttenGpKa training set | -1 » -2 |