Molecule ID: mol9549
SMILES: O=C1CCCCC1=O
InChI: InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.30 | Datawarrior | 0 » -1 |
| 10.30 | OCHEM | 0 » -1 |
| 10.30 | AttenGpKa training set | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |