Molecule ID: mol9842
SMILES: O=[N+]([O-])c1c(O)c([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl
InChI: InChI=1S/C6HCl2N3O7/c7-1-3(9(13)14)2(8)5(11(17)18)6(12)4(1)10(15)16/h12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.70 | OCHEM | 0 » -1 |
| -0.70 | AttenGpKa training set | 0 » -1 |