Molecule ID: mol3806
SMILES: C[N+](C)(C)CCc1ccccn1
InChI: InChI=1S/C10H17N2/c1-12(2,3)9-7-10-6-4-5-8-11-10/h4-6,8H,7,9H2,1-3H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.48 | IUPAC digitized pKa | 2 » 1 |
| 3.54 | AttenGpKa training set | 2 » 1 |