Molecule ID: mol2027
SMILES: CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
InChI: InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.56 | IUPAC digitized pKa | 0 » -1 |
| 11.56 | QSARToolbox | 0 » -1 |
| 11.57 | AttenGpKa training set | 0 » -1 |
| 11.60 | QSARToolbox | 0 » -1 |
| 11.64 | OCHEM | 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 | Hunt | 0 » -1 |
| 11.72 | OCHEM | 0 » -1 |
| 11.72 | QSARToolbox | 0 » -1 |