Molecule ID: mol15582
SMILES: CCCCCCN(CCCCCC)c1ccccc1
InChI: InChI=1S/C18H31N/c1-3-5-7-12-16-19(17-13-8-6-4-2)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.89 | QSARToolbox | 1 » 0 |
| 4.89 | OCHEM | 1 » 0 |
| 4.89 | Datawarrior | 1 » 0 |