Molecule ID: mol9309
SMILES: C#CCCC(=O)O
InChI: InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | OCHEM | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | Datawarrior | 0 » -1 |
| 4.21 | AttenGpKa training set | 0 » -1 |