Molecule ID: mol9846
SMILES: O=[N+]([O-])c1c(O)c([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1O
InChI: InChI=1S/C6H2ClN3O8/c7-1-2(8(13)14)5(11)4(10(17)18)6(12)3(1)9(15)16/h11-12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.13 | IUPAC digitized pKa | 0 » -1 |
| 1.13 | AttenGpKa training set | 0 » -1 |