Molecule ID: mol837
SMILES: CC(C)(C)c1cc(C=O)cc(C(C)(C)C)c1O
InChI: InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.93 | OCHEM | 0 » -1 |
| 8.05 | IUPAC digitized pKa | 0 » -1 |
| 8.05 | OCHEM | 0 » -1 |
| 8.05 | Hunt | 0 » -1 |
| 8.05 | AttenGpKa training set | 0 » -1 |