Molecule ID: mol762
SMILES: Cc1ccc(O)c(C(C)(C)C)c1
InChI: InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.44 | AttenGpKa training set | 0 » -1 |
| 11.50 | OCHEM | 0 » -1 |
| 11.50 | Hunt | 0 » -1 |
| 11.72 | IUPAC digitized pKa | 0 » -1 |
| 11.72 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 11.72 | OCHEM | 0 » -1 |
| 11.72 | OCHEM | 0 » -1 |
| 11.72 | OCHEM | 0 » -1 |
| 11.72 | QSARToolbox | 0 » -1 |