Molecule ID: mol22233
SMILES: CC12CC(C(=O)O)(C1)C2
InChI: InChI=1S/C7H10O2/c1-6-2-7(3-6,4-6)5(8)9/h2-4H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.12 | QSARToolbox | 0 » -1 |
| 4.12 | QSARToolbox | 0 » -1 |
| 4.12 | AttenGpKa training set | 0 » -1 |