Molecule ID: mol3942
SMILES: NCCN1CCOCC1
InChI: InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.84 | IUPAC digitized pKa | 2 » 1 |
| 4.84 | Datawarrior | 2 » 1 |
| 4.84 | OCHEM | 2 » 1 |
| 4.84 | AttenGpKa training set | 2 » 1 |
| 4.84 | QSARToolbox | 2 » 1 |
| 4.84 | QSARToolbox | 2 » 1 |
| 9.45 | OCHEM | 1 » 0 |
| 9.45 | QSARToolbox | 1 » 0 |
| 9.45 | IUPAC digitized pKa | 1 » 0 |
| 9.45 | Datawarrior | 1 » 0 |
| 9.45 | OCHEM | 1 » 0 |
| 9.45 | AttenGpKa training set | 1 » 0 |