Molecule ID: mol9866
SMILES: O=[N+]([O-])c1cc(Cl)ccc1O
InChI: InChI=1S/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | Datawarrior | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 6.36 | IUPAC digitized pKa | 0 » -1 |
| 6.36 | QSARToolbox | 0 » -1 |
| 6.46 | IUPAC digitized pKa | 0 » -1 |
| 6.46 | OCHEM | 0 » -1 |
| 6.46 | OCHEM | 0 » -1 |
| 6.46 | QSARToolbox | 0 » -1 |
| 6.46 | OCHEM | 0 » -1 |
| 6.46 | IUPAC digitized pKa | 0 » -1 |
| 6.46 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 6.46 | OCHEM | 0 » -1 |
| 6.46 | OCHEM | 0 » -1 |
| 6.46 | AttenGpKa training set | 0 » -1 |
| 6.46 | QSARToolbox | 0 » -1 |
| 6.46 | QSARToolbox | 0 » -1 |
| 6.46 | QSARToolbox | 0 » -1 |
| 6.46 | QSARToolbox | 0 » -1 |
| 6.48 | OCHEM | 0 » -1 |
| 6.48 | OCHEM | 0 » -1 |