Molecule ID: mol9986
SMILES: C#CCCCCC(=O)O
InChI: InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h1H,3-6H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.57 | IUPAC digitized pKa | 0 » -1 |
| 4.57 | AttenGpKa training set | 0 » -1 |
| 4.58 | OCHEM | 0 » -1 |
| 4.58 | QSARToolbox | 0 » -1 |
| 4.58 | QSARToolbox | 0 » -1 |
| 4.58 | Datawarrior | 0 » -1 |