Molecule ID: mol15086
SMILES: Cc1ccccc1C(=NCCCN(C)C)c1ccccc1Cl
InChI: InChI=1S/C19H23ClN2/c1-15-9-4-5-10-16(15)19(21-13-8-14-22(2)3)17-11-6-7-12-18(17)20/h4-7,9-12H,8,13-14H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.37 | QSARToolbox | 2 » 1 |
| 3.37 | Datawarrior | 2 » 1 |
| 8.95 | OCHEM | 1 » 0 |
| 8.95 | Datawarrior | 1 » 0 |