Molecule ID: mol734
SMILES: O=[N+]([O-])c1ccc(O)c(Cl)c1
InChI: InChI=1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.31 | QSARToolbox | 0 » -1 |
| 5.31 | IUPAC digitized pKa | 0 » -1 |
| 5.38 | OCHEM | 0 » -1 |
| 5.42 | AttenGpKa training set | 0 » -1 |
| 5.45 | QSARToolbox | 0 » -1 |
| 5.45 | QSARToolbox | 0 » -1 |
| 5.45 | QSARToolbox | 0 » -1 |
| 5.45 | QSARToolbox | 0 » -1 |
| 5.45 | QSARToolbox | 0 » -1 |
| 5.45 | QSARToolbox | 0 » -1 |
| 5.45 | IUPAC digitized pKa | 0 » -1 |
| 5.45 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 5.45 | OCHEM | 0 » -1 |
| 5.45 | OCHEM | 0 » -1 |
| 5.45 | OCHEM | 0 » -1 |
| 5.45 | OCHEM | 0 » -1 |
| 5.60 | Hunt | 0 » -1 |
| 5.76 | QSARToolbox | 0 » -1 |
| 5.76 | QSARToolbox | 0 » -1 |