Molecule ID: mol9946
SMILES: CCC#CC#CC(=O)O
InChI: InChI=1S/C7H6O2/c1-2-3-4-5-6-7(8)9/h2H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | IUPAC digitized pKa | 0 » -1 |
| 1.90 | AttenGpKa training set | 0 » -1 |
| 1.91 | QSARToolbox | 0 » -1 |
| 1.91 | QSARToolbox | 0 » -1 |
| 1.91 | Datawarrior | 0 » -1 |
| 1.91 | OCHEM | 0 » -1 |