Molecule ID: mol2559
SMILES: C=C(C)C(=O)O
InChI: InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.46 | AttenGpKa training set | 0 » -1 |
| 4.65 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.66 | OCHEM | 0 » -1 |
| 4.66 | QSARToolbox | 0 » -1 |
| 4.66 | QSARToolbox | 0 » -1 |
| 4.66 | Datawarrior | 0 » -1 |
| 4.66 | OCHEM | 0 » -1 |
| 4.66 | OCHEM | 0 » -1 |
| 4.66 | Hunt | 0 » -1 |
| 4.66 | OCHEM | 0 » -1 |
| 4.66 | OCHEM | 0 » -1 |