Molecule ID: mol844
SMILES: CCOC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChI: InChI=1S/C17H26O3/c1-8-20-15(19)11-9-12(16(2,3)4)14(18)13(10-11)17(5,6)7/h9-10,18H,8H2,1-7H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | IUPAC digitized pKa | 0 » -1 |
| 9.50 | Hunt | 0 » -1 |
| 9.50 | OCHEM | 0 » -1 |
| 9.50 | QSARToolbox | 0 » -1 |
| 9.50 | QSARToolbox | 0 » -1 |
| 9.50 | AttenGpKa training set | 0 » -1 |