Molecule ID: mol30767
SMILES: Cc1cc([N+](=O)[O-])c(C(C)C)c([N+](=O)[O-])c1O
InChI: InChI=1S/C10H12N2O5/c1-5(2)8-7(11(14)15)4-6(3)10(13)9(8)12(16)17/h4-5,13H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | QSARToolbox | 0 » -1 |
| 4.50 | AttenGpKa training set | 0 » -1 |