Molecule ID: mol32751
SMILES: CN(C)CCCN=C(c1ccccc1)c1ccccc1Cl
InChI: InChI=1S/C18H21ClN2/c1-21(2)14-8-13-20-18(15-9-4-3-5-10-15)16-11-6-7-12-17(16)19/h3-7,9-12H,8,13-14H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | QSARToolbox | 2 » 1 |
| 9.00 | OCHEM | 1 » 0 |