Molecule ID: mol13968
SMILES: O=C(O)C12CC3CC(CC(C3)C1)C2
InChI: InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.90 | QSARToolbox | 0 » -1 |
| 4.90 | QSARToolbox | 0 » -1 |
| 4.95 | OCHEM | 0 » -1 |
| 4.95 | Datawarrior | 0 » -1 |
| 5.00 | AttenGpKa training set | 0 » -1 |