Molecule ID: mol13637
SMILES: OCCN1CCOCC1
InChI: InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.93 | AttenGpKa training set | 1 » 0 |
| 7.18 | OCHEM | 1 » 0 |
| 7.18 | QSARToolbox | 1 » 0 |
| 7.18 | Datawarrior | 1 » 0 |