Molecule ID: mol3945
SMILES: CC(O)CN(CCCN1CCOCC1)CC(C)O
InChI: InChI=1S/C13H28N2O3/c1-12(16)10-15(11-13(2)17)5-3-4-14-6-8-18-9-7-14/h12-13,16-17H,3-11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.50 | Datawarrior | 2 » 1 |
| 5.50 | OCHEM | 2 » 1 |
| 8.40 | OCHEM | 1 » 0 |
| 8.40 | Datawarrior | 1 » 0 |
| 8.40 | OCHEM | 1 » 0 |