Molecule ID: mol8987
SMILES: CC(O)C(=O)O
InChI: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.52 | QSARToolbox | 0 » -1 |
| 3.52 | QSARToolbox | 0 » -1 |
| 3.53 | QSARToolbox | 0 » -1 |
| 3.53 | QSARToolbox | 0 » -1 |
| 3.57 | QSARToolbox | 0 » -1 |
| 3.57 | QSARToolbox | 0 » -1 |
| 3.57 | QSARToolbox | 0 » -1 |
| 3.57 | QSARToolbox | 0 » -1 |
| 3.71 | QSARToolbox | 0 » -1 |
| 3.72 | QSARToolbox | 0 » -1 |
| 3.76 | Datawarrior | 0 » -1 |
| 3.76 | OCHEM | 0 » -1 |
| 3.79 | QSARToolbox | 0 » -1 |
| 3.79 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.82 | QSARToolbox | 0 » -1 |
| 3.83 | IUPAC digitized pKa | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | AttenGpKa training set | 0 » -1 |
| 3.87 | QSARToolbox | 0 » -1 |
| 3.87 | QSARToolbox | 0 » -1 |
| 3.88 | QSARToolbox | 0 » -1 |
| 3.89 | QSARToolbox | 0 » -1 |
| 3.89 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.97 | QSARToolbox | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |
| 10.90 | QSARToolbox | -1 » -2 |
| 10.90 | QSARToolbox | -1 » -2 |
| 11.12 | QSARToolbox | -1 » -2 |
| 11.12 | QSARToolbox | -1 » -2 |
| 11.12 | QSARToolbox | -1 » -2 |
| 14.39 | AttenGpKa training set | -1 » -2 |
| 14.39 | QSARToolbox | -1 » -2 |
| 14.39 | QSARToolbox | -1 » -2 |