Molecule ID: mol30751
SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c2c(c1O)CCCC2
InChI: InChI=1S/C10H10N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h5,13H,1-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | QSARToolbox | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |
| 4.50 | AttenGpKa training set | 0 » -1 |