Molecule ID: mol9550
SMILES: O=CC1CCCC1=O
InChI: InChI=1S/C6H8O2/c7-4-5-2-1-3-6(5)8/h4-5H,1-3H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.83 | OCHEM | 0 » -1 |
| 5.83 | IUPAC digitized pKa | 0 » -1 |
| 5.83 | Datawarrior | 0 » -1 |
| 5.83 | AttenGpKa training set | 0 » -1 |