Molecule ID: mol10414
SMILES: COc1ccc(C(=O)O)c(O)c1
InChI: InChI=1S/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.01 | QSARToolbox | 0 » -1 |
| 3.25 | AttenGpKa training set | 0 » -1 |
| 3.31 | QSARToolbox | 0 » -1 |
| 3.31 | QSARToolbox | 0 » -1 |
| 3.31 | IUPAC digitized pKa | 0 » -1 |
| 3.31 | OCHEM | 0 » -1 |