Molecule ID: mol15205
SMILES: Oc1c(Cl)cc(Cl)c(Cl)c1CN1CCCCC1
InChI: InChI=1S/C12H14Cl3NO/c13-9-6-10(14)12(17)8(11(9)15)7-16-4-2-1-3-5-16/h6,17H,1-5,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.06 | OCHEM | 1 » 0 |
| 5.06 | QSARToolbox | 1 » 0 |
| 5.06 | QSARToolbox | 1 » 0 |
| 5.06 | Datawarrior | 1 » 0 |
| 10.32 | Datawarrior | 0 » -1 |
| 10.32 | OCHEM | 0 » -1 |