Molecule ID: mol22959
SMILES: O=C(O)c1cc([N+](=O)[O-])cc(Cl)c1O
InChI: InChI=1S/C7H4ClNO5/c8-5-2-3(9(13)14)1-4(6(5)10)7(11)12/h1-2,10H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.33 | AttenGpKa training set | 0 » -1 |
| 8.85 | AttenGpKa training set | -1 » -2 |
| 8.85 | QSARToolbox | -1 » -2 |
| 8.85 | QSARToolbox | -1 » -2 |