Molecule ID: mol9983
SMILES: CC(=O)C1CCCC1=O
InChI: InChI=1S/C7H10O2/c1-5(8)6-3-2-4-7(6)9/h6H,2-4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.82 | IUPAC digitized pKa | 0 » -1 |
| 7.82 | Datawarrior | 0 » -1 |
| 7.82 | AttenGpKa training set | 0 » -1 |
| 7.82 | OCHEM | 0 » -1 |