Molecule ID: mol22213
SMILES: C=CCCCC(=O)O
InChI: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.72 | QSARToolbox | 0 » -1 |
| 4.72 | QSARToolbox | 0 » -1 |
| 4.72 | OCHEM | 0 » -1 |
| 4.72 | AttenGpKa training set | 0 » -1 |