Molecule ID: mol33636
SMILES: CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1
InChI: InChI=1S/C14H18ClN3S/c1-17(2)9-10-18(14-5-3-4-8-16-14)11-12-6-7-13(15)19-12/h3-8H,9-11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.42 | OCHEM | 1 » 0 |
| 8.42 | QSARToolbox | 1 » 0 |
| 8.70 | QSARToolbox | 1 » 0 |