Molecule ID: mol14572
SMILES: O=C(CCN1CCOCC1)c1ccccc1
InChI: InChI=1S/C13H17NO2/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14/h1-5H,6-11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | Datawarrior | 1 » 0 |
| 6.50 | OCHEM | 1 » 0 |
| 6.50 | QSARToolbox | 1 » 0 |