Molecule ID: mol3164
SMILES: CCN(CC)CC(O)CN(CC)CC
InChI: InChI=1S/C11H26N2O/c1-5-12(6-2)9-11(14)10-13(7-3)8-4/h11,14H,5-10H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.44 | OCHEM | 2 » 1 |
| 7.74 | QSARToolbox | 2 » 1 |
| 7.74 | QSARToolbox | 2 » 1 |
| 7.74 | IUPAC digitized pKa | 2 » 1 |
| 7.74 | Datawarrior | 2 » 1 |
| 9.50 | OCHEM | 1 » 0 |
| 9.80 | IUPAC digitized pKa | 1 » 0 |
| 9.80 | Datawarrior | 1 » 0 |
| 9.80 | QSARToolbox | 1 » 0 |
| 9.80 | OCHEM | 1 » 0 |