Molecule ID: mol2017
SMILES: CC(C)C(=O)O
InChI: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | IUPAC digitized pKa | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |
| 4.62 | OCHEM | 0 » -1 |
| 4.63 | QSARToolbox | 0 » -1 |
| 4.63 | QSARToolbox | 0 » -1 |
| 4.64 | QSARToolbox | 0 » -1 |
| 4.64 | IUPAC digitized pKa | 0 » -1 |
| 4.76 | Datawarrior | 0 » -1 |
| 4.76 | OCHEM | 0 » -1 |
| 4.84 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | Hunt | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |
| 4.85 | OCHEM | 0 » -1 |
| 4.85 | OCHEM | 0 » -1 |
| 4.86 | AttenGpKa training set | 0 » -1 |
| 4.89 | QSARToolbox | 0 » -1 |
| 4.89 | QSARToolbox | 0 » -1 |
| 4.95 | QSARToolbox | 0 » -1 |
| 4.95 | QSARToolbox | 0 » -1 |