Molecule ID: mol14037
SMILES: On1nnc2c(Cl)cccc21
InChI: InChI=1S/C6H4ClN3O/c7-4-2-1-3-5-6(4)8-9-10(5)11/h1-3,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | Datawarrior | 0 » -1 |
| 3.90 | AttenGpKa training set | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.90 | OCHEM | 0 » -1 |