Molecule ID: mol740
SMILES: Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3,10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.06 | AttenGpKa training set | 0 » -1 |
| 4.23 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.23 | OCHEM | 0 » -1 |
| 4.23 | Hunt | 0 » -1 |
| 4.23 | OCHEM | 0 » -1 |
| 4.23 | QSARToolbox | 0 » -1 |
| 4.23 | QSARToolbox | 0 » -1 |
| 4.23 | IUPAC digitized pKa | 0 » -1 |
| 4.23 | OCHEM | 0 » -1 |
| 4.23 | OCHEM | 0 » -1 |
| 4.23 | OCHEM | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |