Molecule ID: mol2028
SMILES: CC(C)(C)c1cccc(C(C)(C)C)c1O
InChI: InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.70 | QSARToolbox | 0 » -1 |
| 11.70 | QSARToolbox | 0 » -1 |
| 11.70 | QSARToolbox | 0 » -1 |
| 11.70 | IUPAC digitized pKa | 0 » -1 |
| 11.70 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 11.70 | OCHEM | 0 » -1 |
| 11.70 | OCHEM | 0 » -1 |
| 11.70 | Hunt | 0 » -1 |
| 11.70 | OCHEM | 0 » -1 |
| 11.70 | OCHEM | 0 » -1 |
| 11.70 | AttenGpKa training set | 0 » -1 |