Molecule ID: mol3268
SMILES: CCCCCCCCCCCCCCCCN(CC(C)O)CC(C)O
InChI: InChI=1S/C22H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21(2)24)20-22(3)25/h21-22,24-25H,4-20H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | OCHEM | 1 » 0 |
| 9.19 | OCHEM | 1 » 0 |
| 9.19 | Datawarrior | 1 » 0 |