Molecule ID: mol22747
SMILES: COC(=O)c1cccc(C(=O)O)c1
InChI: InChI=1S/C9H8O4/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.89 | AttenGpKa training set | 0 » -1 |
| 3.89 | QSARToolbox | 0 » -1 |
| 3.89 | QSARToolbox | 0 » -1 |