Molecule ID: mol10894
SMILES: COc1ccc(C(=O)O)cc1OC
InChI: InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.36 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |
| 4.41 | AttenGpKa training set | 0 » -1 |