Molecule ID: mol6702
SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(-n2ccnc2)c([N+](=O)[O-])c1
InChI: InChI=1S/C9H5N5O6/c15-12(16)6-3-7(13(17)18)9(8(4-6)14(19)20)11-2-1-10-5-11/h1-5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.70 | IUPAC digitized pKa | 1 » 0 |
| 2.70 | AttenGpKa training set | 1 » 0 |