Molecule ID: mol21723
SMILES: CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChI: InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.62 | QSARToolbox | 0 » -1 |
| 4.62 | QSARToolbox | 0 » -1 |
| 4.62 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.62 | OCHEM | 0 » -1 |
| 4.62 | OCHEM | 0 » -1 |
| 4.62 | OCHEM | 0 » -1 |
| 4.62 | AttenGpKa training set | 0 » -1 |