Molecule ID: mol13912
SMILES: O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1
InChI: InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.29 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.32 | QSARToolbox | 0 » -1 |
| 3.32 | AttenGpKa training set | 0 » -1 |
| 3.33 | OCHEM | 0 » -1 |
| 3.33 | Datawarrior | 0 » -1 |
| 3.33 | OCHEM | 0 » -1 |
| 3.34 | QSARToolbox | 0 » -1 |
| 3.34 | QSARToolbox | 0 » -1 |