Molecule ID: mol11381
SMILES: Cc1c([N+](=O)[O-])cc(C(C)C)c(O)c1[N+](=O)[O-]
InChI: InChI=1S/C10H12N2O5/c1-5(2)7-4-8(11(14)15)6(3)9(10(7)13)12(16)17/h4-5,13H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.96 | QSARToolbox | 0 » -1 |
| 3.96 | IUPAC digitized pKa | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |