Molecule ID: mol3952
SMILES: OC(CN1CCOCC1)CN1CCOCC1
InChI: InChI=1S/C11H22N2O3/c14-11(9-12-1-5-15-6-2-12)10-13-3-7-16-8-4-13/h11,14H,1-10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | IUPAC digitized pKa | 2 » 1 |
| 5.00 | Datawarrior | 2 » 1 |
| 5.00 | QSARToolbox | 2 » 1 |
| 5.00 | QSARToolbox | 2 » 1 |
| 5.30 | OCHEM | 2 » 1 |
| 6.68 | OCHEM | 2 » 1 |
| 6.98 | IUPAC digitized pKa | 1 » 0 |
| 6.98 | Datawarrior | 2 » 1 |
| 6.98 | OCHEM | 2 » 1 |
| 6.98 | QSARToolbox | 2 » 1 |