Molecule ID: mol1779
SMILES: CCCCCC(=O)O
InChI: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | IUPAC digitized pKa | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.83 | OCHEM | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |
| 4.85 | OCHEM | 0 » -1 |
| 4.85 | Hunt | 0 » -1 |
| 4.85 | OCHEM | 0 » -1 |
| 4.85 | QSARToolbox | 0 » -1 |
| 4.85 | IUPAC digitized pKa | 0 » -1 |
| 4.85 | Datawarrior | 0 » -1 |
| 4.87 | OCHEM | 0 » -1 |
| 4.88 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.88 | AttenGpKa training set | 0 » -1 |
| 4.88 | QSARToolbox | 0 » -1 |
| 4.88 | QSARToolbox | 0 » -1 |
| 4.95 | QSARToolbox | 0 » -1 |