Molecule ID: mol3954
SMILES: C1CN(CCN2CCOCC2)CCO1
InChI: InChI=1S/C10H20N2O2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.63 | IUPAC digitized pKa | 2 » 1 |
| 3.63 | Datawarrior | 2 » 1 |
| 3.63 | QSARToolbox | 2 » 1 |
| 3.63 | QSARToolbox | 2 » 1 |
| 6.35 | OCHEM | 1 » 0 |
| 6.65 | IUPAC digitized pKa | 1 » 0 |
| 6.65 | Datawarrior | 1 » 0 |
| 6.65 | QSARToolbox | 1 » 0 |
| 6.65 | OCHEM | 1 » 0 |