Molecule ID: mol6565
SMILES: Oc1c(Cl)c(Cl)nc(Cl)c1Cl
InChI: InChI=1S/C5HCl4NO/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -4.10 | OCHEM | 1 » 0 |
| -4.10 | QSARToolbox | 1 » 0 |
| 2.00 | OCHEM | 0 » -1 |
| 2.00 | QSARToolbox | 0 » -1 |