Molecule ID: mol9524
SMILES: CC#CC#CC(=O)O
InChI: InChI=1S/C6H4O2/c1-2-3-4-5-6(7)8/h1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.94 | IUPAC digitized pKa | 0 » -1 |
| 1.94 | Datawarrior | 0 » -1 |
| 1.94 | AttenGpKa training set | 0 » -1 |
| 1.94 | QSARToolbox | 0 » -1 |
| 1.94 | QSARToolbox | 0 » -1 |
| 1.94 | OCHEM | 0 » -1 |