Molecule ID: mol739
SMILES: Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChI: InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | OCHEM | 0 » -1 |
| 4.31 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | Hunt | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.40 | OCHEM | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.45 | AttenGpKa training set | 0 » -1 |
| 4.70 | IUPAC digitized pKa | 0 » -1 |