Molecule ID: mol10591
SMILES: CCc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1[N+](=O)[O-]
InChI: InChI=1S/C8H7N3O7/c1-2-4-5(9(13)14)3-6(10(15)16)8(12)7(4)11(17)18/h3,12H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | IUPAC digitized pKa | 0 » -1 |
| 1.00 | OCHEM | 0 » -1 |
| 1.00 | AttenGpKa training set | 0 » -1 |