Molecule ID: mol12173
SMILES: CC(C)(C)c1cc([N+](C)(C)C)cc(C(C)(C)C)c1O
InChI: InChI=1S/C17H29NO/c1-16(2,3)13-10-12(18(7,8)9)11-14(15(13)19)17(4,5)6/h10-11H,1-9H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.84 | IUPAC digitized pKa | 1 » 0 |
| 9.84 | AttenGpKa training set | 1 » 0 |