Molecule ID: mol3582
SMILES: CC(CC(c1ccccc1)c1ccccc1)N1CCCCC1
InChI: InChI=1S/C21H27N/c1-18(22-15-9-4-10-16-22)17-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,18,21H,4,9-10,15-17H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.75 | IUPAC digitized pKa | 1 » 0 |
| 8.75 | QSARToolbox | 1 » 0 |
| 8.80 | Datawarrior | 1 » 0 |
| 8.80 | QSARToolbox | 1 » 0 |
| 8.80 | OCHEM | 1 » 0 |