Molecule ID: mol10939
SMILES: O=C1CCc2c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c21
InChI: InChI=1S/C9H6N2O6/c12-7-2-1-4-5(10(14)15)3-6(11(16)17)9(13)8(4)7/h3,13H,1-2H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.94 | IUPAC digitized pKa | 0 » -1 |
| 1.94 | OCHEM | 0 » -1 |