Molecule ID: mol23144
SMILES: O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1O
InChI: InChI=1S/C7H3ClN2O7/c8-4-3(9(14)15)1-2(7(12)13)6(11)5(4)10(16)17/h1,11H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | AttenGpKa training set | 0 » -1 |
| 6.96 | AttenGpKa training set | -1 » -2 |
| 6.96 | QSARToolbox | -1 » -2 |
| 6.96 | QSARToolbox | -1 » -2 |