Molecule ID: mol30686
SMILES: O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1Cl
InChI: InChI=1S/C6H3ClN2O5/c7-5-3(8(11)12)1-2-4(10)6(5)9(13)14/h1-2,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.23 | AttenGpKa training set | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |