Molecule ID: mol9126
SMILES: C=CCC(=O)O
InChI: InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.32 | QSARToolbox | 0 » -1 |
| 4.33 | OCHEM | 0 » -1 |
| 4.33 | QSARToolbox | 0 » -1 |
| 4.33 | Datawarrior | 0 » -1 |
| 4.34 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | AttenGpKa training set | 0 » -1 |
| 4.37 | QSARToolbox | 0 » -1 |
| 4.37 | IUPAC digitized pKa | 0 » -1 |
| 4.68 | OCHEM | 0 » -1 |
| 4.68 | OCHEM | 0 » -1 |