Molecule ID: mol10093
SMILES: COc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1[N+](=O)[O-]
InChI: InChI=1S/C7H5N3O8/c1-18-7-4(9(14)15)2-3(8(12)13)6(11)5(7)10(16)17/h2,11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.37 | AttenGpKa training set | 0 » -1 |
| 0.37 | IUPAC digitized pKa | 0 » -1 |
| 0.37 | OCHEM | 0 » -1 |