Molecule ID: mol32405
SMILES: CCC=CCC(=O)O
InChI: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.51 | OCHEM | 0 » -1 |
| 4.51 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | OCHEM | 0 » -1 |