Molecule ID: mol9536
SMILES: CC#C/C=C/C(=O)O
InChI: InChI=1S/C6H6O2/c1-2-3-4-5-6(7)8/h4-5H,1H3,(H,7,8)/b5-4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | Datawarrior | 0 » -1 |
| 4.20 | AttenGpKa training set | 0 » -1 |