Molecule ID: mol15763
SMILES: Oc1ccc(Cl)cc1CN1CCOCC1
InChI: InChI=1S/C11H14ClNO2/c12-10-1-2-11(14)9(7-10)8-13-3-5-15-6-4-13/h1-2,7,14H,3-6,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.68 | QSARToolbox | 1 » 0 |
| 6.78 | Datawarrior | 1 » 0 |
| 6.78 | OCHEM | 1 » 0 |
| 9.85 | Datawarrior | 0 » -1 |
| 9.85 | OCHEM | 0 » -1 |
| 9.96 | QSARToolbox | 0 » -1 |