Molecule ID: mol15198
SMILES: Oc1c(Cl)cc(Cl)c(Cl)c1CN1CCOCC1
InChI: InChI=1S/C11H12Cl3NO2/c12-8-5-9(13)11(16)7(10(8)14)6-15-1-3-17-4-2-15/h5,16H,1-4,6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.84 | Datawarrior | 1 » 0 |
| 4.84 | QSARToolbox | 1 » 0 |
| 4.84 | QSARToolbox | 1 » 0 |
| 4.84 | OCHEM | 1 » 0 |
| 8.83 | OCHEM | 0 » -1 |
| 8.83 | Datawarrior | 0 » -1 |