Molecule ID: mol26469
SMILES: O=[N+]([O-])c1cccc2c1nnn2O
InChI: InChI=1S/C6H4N4O3/c11-9-4-2-1-3-5(10(12)13)6(4)7-8-9/h1-3,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.28 | AttenGpKa training set | 1 » 0 |
| 3.33 | AttenGpKa training set | 0 » -1 |