Molecule ID: mol25554
SMILES: O=[N+]([O-])c1ccc(-c2n[nH]cc2[N+](=O)[O-])cc1
InChI: InChI=1S/C9H6N4O4/c14-12(15)7-3-1-6(2-4-7)9-8(13(16)17)5-10-11-9/h1-5H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.46 | AttenGpKa training set | 0 » -1 |
| 8.46 | AttenGpKa training set | 0 » -1 |