Molecule ID: mol15463
SMILES: O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
InChI: InChI=1S/C14H19ClN2O2/c15-13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-19-11-9-17/h2-5H,1,6-11H2,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.81 | OCHEM | 1 » 0 |
| 6.81 | QSARToolbox | 1 » 0 |
| 6.81 | Datawarrior | 1 » 0 |