Molecule ID: mol16194
SMILES: CC(C)N(Cc1cnc[nH]1)c1ccc(Cl)cc1
InChI: InChI=1S/C13H16ClN3/c1-10(2)17(8-12-7-15-9-16-12)13-5-3-11(14)4-6-13/h3-7,9-10H,8H2,1-2H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | Baltruschat ChEMBL | 2 » 1 |