Molecule ID: mol3807
SMILES: C[N+](C)(C)CCc1cccnc1
InChI: InChI=1S/C10H17N2/c1-12(2,3)8-6-10-5-4-7-11-9-10/h4-5,7,9H,6,8H2,1-3H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.29 | IUPAC digitized pKa | 2 » 1 |
| 4.35 | AttenGpKa training set | 2 » 1 |