Molecule ID: mol3876
SMILES: Clc1ccc(CC(=CCN2CCCC2)c2ccccc2)cc1
InChI: InChI=1S/C20H22ClN/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22/h1-3,6-12H,4-5,13-16H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.77 | IUPAC digitized pKa | 1 » 0 |
| 8.77 | Datawarrior | 1 » 0 |
| 8.77 | OCHEM | 1 » 0 |
| 8.77 | QSARToolbox | 1 » 0 |
| 8.77 | OCHEM | 1 » 0 |