Molecule ID: mol23078
SMILES: O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1
InChI: InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.60 | AttenGpKa training set | 0 » -1 |
| 2.69 | QSARToolbox | 0 » -1 |