Molecule ID: mol2329
SMILES: O=[N+]([O-])c1ccc(Cl)cc1O
InChI: InChI=1S/C6H4ClNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.05 | IUPAC digitized pKa | 0 » -1 |
| 6.05 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 6.05 | OCHEM | 0 » -1 |
| 6.05 | Hunt | 0 » -1 |
| 6.05 | OCHEM | 0 » -1 |
| 6.05 | OCHEM | 0 » -1 |
| 6.05 | AttenGpKa training set | 0 » -1 |
| 6.05 | QSARToolbox | 0 » -1 |
| 6.50 | QSARToolbox | 0 » -1 |