Molecule ID: mol3961
SMILES: CN1CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1
InChI: InChI=1S/C18H21BrN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.97 | QSARToolbox | 1 » 0 |
| 7.97 | IUPAC digitized pKa | 1 » 0 |
| 7.97 | OCHEM | 1 » 0 |