Molecule ID: mol1893
SMILES: O=C(O)c1ccc([N+](=O)[O-])cc1Cl
InChI: InChI=1S/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.96 | Datawarrior | 0 » -1 |
| 1.96 | OCHEM | 0 » -1 |
| 1.96 | OCHEM | 0 » -1 |
| 1.96 | Hunt | 0 » -1 |
| 1.96 | OCHEM | 0 » -1 |
| 1.96 | QSARToolbox | 0 » -1 |
| 1.96 | QSARToolbox | 0 » -1 |
| 1.96 | QSARToolbox | 0 » -1 |
| 1.98 | AttenGpKa training set | 0 » -1 |
| 2.14 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.14 | OCHEM | 0 » -1 |
| 2.14 | OCHEM | 0 » -1 |
| 2.14 | OCHEM | 0 » -1 |
| 2.14 | OCHEM | 0 » -1 |
| 2.14 | OCHEM | 0 » -1 |