Molecule ID: mol33038
SMILES: CCCCC=CC(=O)O
InChI: InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.12 | QSARToolbox | 0 » -1 |
| 4.12 | QSARToolbox | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |
| 4.88 | QSARToolbox | 0 » -1 |