Molecule ID: mol9556
SMILES: C#CCCCC(=O)O
InChI: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.59 | IUPAC digitized pKa | 0 » -1 |
| 4.59 | AttenGpKa training set | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | Datawarrior | 0 » -1 |