Molecule ID: mol781
SMILES: O=[N+]([O-])c1cc(-c2ccccc2)c(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C12H8N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h1-7,15H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | IUPAC digitized pKa | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.85 | Hunt | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.85 | QSARToolbox | 0 » -1 |
| 3.85 | QSARToolbox | 0 » -1 |
| 3.85 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.90 | AttenGpKa training set | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |