Molecule ID: mol9308
SMILES: CC#CCC(=O)O
InChI: InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h4H2,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.59 | IUPAC digitized pKa | 0 » -1 |
| 3.59 | AttenGpKa training set | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |
| 3.60 | Datawarrior | 0 » -1 |