Molecule ID: mol9547
SMILES: O=C(O)C12CC(C1)C2
InChI: InChI=1S/C6H8O2/c7-5(8)6-1-4(2-6)3-6/h4H,1-3H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.02 | AttenGpKa training set | 0 » -1 |
| 4.09 | IUPAC digitized pKa | 0 » -1 |
| 8.05 | QSARToolbox | 0 » -1 |