Molecule ID: mol12045
SMILES: CC(C)(C)c1cc(C(N)=O)cc(C(C)(C)C)c1O
InChI: InChI=1S/C15H23NO2/c1-14(2,3)10-7-9(13(16)18)8-11(12(10)17)15(4,5)6/h7-8,17H,1-6H3,(H2,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.53 | IUPAC digitized pKa | 0 » -1 |
| 9.53 | AttenGpKa training set | 0 » -1 |