Molecule ID: mol731
SMILES: O=[N+]([O-])c1cc(Cl)c(O)c(Cl)c1
InChI: InChI=1S/C6H3Cl2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.55 | IUPAC digitized pKa | 0 » -1 |
| 3.55 | QSARToolbox | 0 » -1 |
| 3.55 | QSARToolbox | 0 » -1 |
| 3.55 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.56 | OCHEM | 0 » -1 |
| 3.56 | QSARToolbox | 0 » -1 |
| 3.56 | IUPAC digitized pKa | 0 » -1 |
| 3.60 | Hunt | 0 » -1 |
| 3.61 | AttenGpKa training set | 0 » -1 |
| 3.70 | Datawarrior | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |