Molecule ID: mol2033
SMILES: CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChI: InChI=1S/C16H24O2/c1-10(17)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18H,1-7H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.68 | IUPAC digitized pKa | 0 » -1 |
| 8.68 | OCHEM | 0 » -1 |
| 8.68 | Hunt | 0 » -1 |
| 8.68 | AttenGpKa training set | 0 » -1 |