Molecule ID: mol10877
SMILES: COc1ccc(C)cc1C(=O)O
InChI: InChI=1S/C9H10O3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.18 | AttenGpKa training set | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | OCHEM | 0 » -1 |