Molecule ID: mol14583
SMILES: Oc1c(Cl)cc(Cl)cc1CN1CCCCC1
InChI: InChI=1S/C12H15Cl2NO/c13-10-6-9(12(16)11(14)7-10)8-15-4-2-1-3-5-15/h6-7,16H,1-5,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.97 | QSARToolbox | 1 » 0 |
| 5.97 | OCHEM | 1 » 0 |
| 5.97 | Datawarrior | 1 » 0 |
| 11.12 | Datawarrior | 0 » -1 |
| 11.12 | OCHEM | 0 » -1 |