Molecule ID: mol14336
SMILES: CCN(CC)Cc1cc(Cl)cc(Cl)c1O
InChI: InChI=1S/C11H15Cl2NO/c1-3-14(4-2)7-8-5-9(12)6-10(13)11(8)15/h5-6,15H,3-4,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.95 | OCHEM | 1 » 0 |
| 5.95 | QSARToolbox | 1 » 0 |
| 5.95 | Datawarrior | 1 » 0 |
| 11.57 | Datawarrior | 0 » -1 |
| 11.57 | OCHEM | 0 » -1 |