Molecule ID: mol9865
SMILES: O=[N+]([O-])c1cccc(Cl)c1O
InChI: InChI=1S/C6H4ClNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.48 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 5.48 | OCHEM | 0 » -1 |
| 5.48 | OCHEM | 0 » -1 |
| 5.48 | QSARToolbox | 0 » -1 |
| 5.48 | QSARToolbox | 0 » -1 |
| 5.48 | IUPAC digitized pKa | 0 » -1 |
| 5.48 | OCHEM | 0 » -1 |
| 5.48 | OCHEM | 0 » -1 |
| 5.48 | OCHEM | 0 » -1 |