Molecule ID: mol2241
SMILES: O=C(O)CO
InChI: InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.62 | QSARToolbox | 0 » -1 |
| 3.62 | IUPAC digitized pKa | 0 » -1 |
| 3.67 | Datawarrior | 0 » -1 |
| 3.67 | OCHEM | 0 » -1 |
| 3.70 | IUPAC digitized pKa | 0 » -1 |
| 3.82 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.83 | Hunt | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.84 | OCHEM | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.85 | QSARToolbox | 0 » -1 |
| 3.85 | QSARToolbox | 0 » -1 |
| 3.85 | QSARToolbox | 0 » -1 |
| 3.85 | QSARToolbox | 0 » -1 |
| 3.87 | AttenGpKa training set | 0 » -1 |
| 14.37 | QSARToolbox | -1 » -2 |
| 14.37 | Datawarrior | -1 » -2 |
| 14.37 | AttenGpKa training set | -1 » -2 |