Molecule ID: mol15038
SMILES: c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1
InChI: InChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.52 | AttenGpKa training set | 1 » 0 |
| 7.44 | Datawarrior | 1 » 0 |
| 7.44 | QSARToolbox | 1 » 0 |
| 7.44 | OCHEM | 1 » 0 |