Molecule ID: mol15197
SMILES: O=C(CCN1CCOCC1)c1cccc(Br)c1
InChI: InChI=1S/C13H16BrNO2/c14-12-3-1-2-11(10-12)13(16)4-5-15-6-8-17-9-7-15/h1-3,10H,4-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.80 | Datawarrior | 1 » 0 |
| 6.80 | QSARToolbox | 1 » 0 |
| 6.80 | OCHEM | 1 » 0 |