Molecule ID: mol12042
SMILES: CC(C)(C)c1cc(C#N)cc(C(C)(C)C)c1O
InChI: InChI=1S/C15H21NO/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,17H,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.70 | IUPAC digitized pKa | 0 » -1 |
| 8.70 | AttenGpKa training set | 0 » -1 |
| 8.89 | OCHEM | 0 » -1 |