Molecule ID: mol22371
SMILES: COC(=O)C12CC(C(=O)O)(C1)C2
InChI: InChI=1S/C8H10O4/c1-12-6(11)8-2-7(3-8,4-8)5(9)10/h2-4H2,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.51 | QSARToolbox | 0 » -1 |
| 3.51 | QSARToolbox | 0 » -1 |
| 3.51 | OCHEM | 0 » -1 |
| 3.51 | AttenGpKa training set | 0 » -1 |