Molecule ID: mol1029
SMILES: O=C(O)c1c(Cl)cccc1[N+](=O)[O-]
InChI: InChI=1S/C7H4ClNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.34 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.34 | OCHEM | 0 » -1 |
| 1.34 | OCHEM | 0 » -1 |
| 1.34 | Hunt | 0 » -1 |
| 1.34 | OCHEM | 0 » -1 |
| 1.34 | OCHEM | 0 » -1 |
| 1.34 | OCHEM | 0 » -1 |
| 1.34 | OCHEM | 0 » -1 |
| 1.34 | OCHEM | 0 » -1 |
| 1.34 | QSARToolbox | 0 » -1 |
| 1.34 | QSARToolbox | 0 » -1 |
| 1.34 | QSARToolbox | 0 » -1 |
| 1.41 | Datawarrior | 0 » -1 |
| 1.41 | OCHEM | 0 » -1 |
| 1.41 | AttenGpKa training set | 0 » -1 |
| 1.48 | QSARToolbox | 0 » -1 |