Molecule ID: mol14573
SMILES: Oc1c(Cl)cc(Cl)cc1CN1CCOCC1
InChI: InChI=1S/C11H13Cl2NO2/c12-9-5-8(11(15)10(13)6-9)7-14-1-3-16-4-2-14/h5-6,15H,1-4,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.53 | QSARToolbox | 1 » 0 |
| 5.67 | Datawarrior | 1 » 0 |
| 5.67 | OCHEM | 1 » 0 |
| 8.85 | Datawarrior | 0 » -1 |
| 8.85 | OCHEM | 0 » -1 |
| 8.95 | QSARToolbox | 0 » -1 |