Molecule ID: mol14043
SMILES: CCC#CC#CC#CC(=O)O
InChI: InChI=1S/C9H6O2/c1-2-3-4-5-6-7-8-9(10)11/h2H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.67 | QSARToolbox | 0 » -1 |
| 1.67 | QSARToolbox | 0 » -1 |
| 1.67 | Datawarrior | 0 » -1 |
| 1.67 | OCHEM | 0 » -1 |
| 1.67 | AttenGpKa training set | 0 » -1 |