Molecule ID: mol13916
SMILES: O=C(O)c1cc(Cl)cc([N+](=O)[O-])c1
InChI: InChI=1S/C7H4ClNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.17 | Datawarrior | 0 » -1 |
| 2.17 | QSARToolbox | 0 » -1 |
| 2.17 | QSARToolbox | 0 » -1 |
| 2.17 | OCHEM | 0 » -1 |
| 3.13 | OCHEM | 0 » -1 |
| 3.13 | AttenGpKa training set | 0 » -1 |
| 3.13 | QSARToolbox | 0 » -1 |