Molecule ID: mol6560
SMILES: Clc1cc(Cl)c(Cl)nc1Cl
InChI: InChI=1S/C5HCl4N/c6-2-1-3(7)5(9)10-4(2)8/h1H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -5.50 | OCHEM | 1 » 0 |
| -5.50 | AttenGpKa training set | 1 » 0 |
| -0.80 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| -0.80 | OCHEM | 1 » 0 |
| -0.80 | OCHEM | 1 » 0 |