Molecule ID: mol15460
SMILES: O=C(CCN1CCOCC1)c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C13H16N2O4/c16-13(4-5-14-6-8-19-9-7-14)11-2-1-3-12(10-11)15(17)18/h1-3,10H,4-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | Datawarrior | 1 » 0 |
| 6.50 | OCHEM | 1 » 0 |
| 6.50 | QSARToolbox | 1 » 0 |