Molecule ID: mol1020
SMILES: O=C(O)c1cccc([N+](=O)[O-])c1Cl
InChI: InChI=1S/C7H4ClNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.02 | QSARToolbox | 0 » -1 |
| 2.02 | Datawarrior | 0 » -1 |
| 2.02 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.02 | OCHEM | 0 » -1 |
| 2.02 | OCHEM | 0 » -1 |
| 2.02 | OCHEM | 0 » -1 |
| 2.02 | Hunt | 0 » -1 |
| 2.02 | OCHEM | 0 » -1 |
| 2.02 | OCHEM | 0 » -1 |
| 2.02 | OCHEM | 0 » -1 |
| 2.02 | OCHEM | 0 » -1 |
| 2.04 | AttenGpKa training set | 0 » -1 |
| 2.20 | OCHEM | 0 » -1 |
| 2.20 | QSARToolbox | 0 » -1 |
| 2.20 | QSARToolbox | 0 » -1 |