Molecule ID: mol733
SMILES: O=[N+]([O-])c1cc(Cl)c(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C6H3ClN2O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.01 | IUPAC digitized pKa | 0 » -1 |
| 2.01 | AttenGpKa training set | 0 » -1 |
| 2.06 | OCHEM | 0 » -1 |
| 2.06 | OCHEM | 0 » -1 |
| 2.10 | QSARToolbox | 0 » -1 |
| 2.10 | QSARToolbox | 0 » -1 |
| 2.10 | IUPAC digitized pKa | 0 » -1 |
| 2.10 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.10 | OCHEM | 0 » -1 |
| 2.10 | OCHEM | 0 » -1 |
| 2.10 | OCHEM | 0 » -1 |
| 2.10 | OCHEM | 0 » -1 |
| 2.10 | OCHEM | 0 » -1 |
| 2.10 | OCHEM | 0 » -1 |
| 2.20 | Hunt | 0 » -1 |