Molecule ID: mol10450
SMILES: CC(=O)C1CCCCC1=O
InChI: InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.89 | AttenGpKa training set | 0 » -1 |
| 10.09 | IUPAC digitized pKa | 0 » -1 |
| 10.21 | Datawarrior | 0 » -1 |
| 10.21 | OCHEM | 0 » -1 |