Molecule ID: mol3803
SMILES: C[N+]1(Cc2cccnc2)CCCCC1
InChI: InChI=1S/C12H19N2/c1-14(8-3-2-4-9-14)11-12-6-5-7-13-10-12/h5-7,10H,2-4,8-9,11H2,1H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.07 | IUPAC digitized pKa | 2 » 1 |
| 3.13 | AttenGpKa training set | 2 » 1 |