Molecule ID: mol10870
SMILES: CCCCC#CC#CC(=O)O
InChI: InChI=1S/C9H10O2/c1-2-3-4-5-6-7-8-9(10)11/h2-4H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.89 | QSARToolbox | 0 » -1 |
| 1.89 | QSARToolbox | 0 » -1 |
| 1.89 | IUPAC digitized pKa | 0 » -1 |