Molecule ID: mol9593
SMILES: CCC(C)(C)C(=O)O
InChI: InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.93 | QSARToolbox | 0 » -1 |
| 4.93 | QSARToolbox | 0 » -1 |
| 4.93 | IUPAC digitized pKa | 0 » -1 |
| 4.98 | OCHEM | 0 » -1 |
| 5.00 | AttenGpKa training set | 0 » -1 |
| 5.03 | Datawarrior | 0 » -1 |
| 5.03 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 5.03 | OCHEM | 0 » -1 |
| 5.03 | OCHEM | 0 » -1 |
| 5.03 | OCHEM | 0 » -1 |
| 5.03 | OCHEM | 0 » -1 |
| 5.03 | OCHEM | 0 » -1 |
| 5.03 | QSARToolbox | 0 » -1 |
| 5.30 | QSARToolbox | 0 » -1 |