Molecule ID: mol5754
SMILES: CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1
InChI: InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | Baltruschat ChEMBL | 3 » 2 |
| 3.80 | IUPAC digitized pKa | 2 » 1 |