Molecule ID: mol3955
SMILES: C(CN1CCOCC1)CN1CCOCC1
InChI: InChI=1S/C11H22N2O2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h1-11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.25 | IUPAC digitized pKa | 2 » 1 |
| 6.25 | Datawarrior | 2 » 1 |
| 6.25 | QSARToolbox | 2 » 1 |
| 6.26 | QSARToolbox | 2 » 1 |
| 6.75 | OCHEM | 2 » 1 |
| 7.00 | OCHEM | 2 » 1 |
| 7.25 | IUPAC digitized pKa | 1 » 0 |
| 7.25 | Datawarrior | 1 » 0 |
| 7.25 | QSARToolbox | 1 » 0 |
| 7.25 | QSARToolbox | 1 » 0 |