Molecule ID: mol14468
SMILES: CCN(CC)Cc1c(O)c(Cl)cc(Cl)c1Cl
InChI: InChI=1S/C11H14Cl3NO/c1-3-15(4-2)6-7-10(14)8(12)5-9(13)11(7)16/h5,16H,3-4,6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.13 | Datawarrior | 1 » 0 |
| 5.13 | OCHEM | 1 » 0 |
| 5.13 | QSARToolbox | 1 » 0 |
| 5.13 | QSARToolbox | 1 » 0 |
| 11.76 | Datawarrior | 0 » -1 |
| 11.76 | OCHEM | 0 » -1 |