Molecule ID: mol2361
SMILES: COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChI: InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.10 | QSARToolbox | 0 » -1 |
| 12.15 | QSARToolbox | 0 » -1 |
| 12.15 | IUPAC digitized pKa | 0 » -1 |
| 12.15 | OCHEM | 0 » -1 |
| 12.15 | Hunt | 0 » -1 |
| 12.15 | OCHEM | 0 » -1 |
| 12.15 | AttenGpKa training set | 0 » -1 |