Molecule ID: mol13460
SMILES: O=[N+]([O-])c1ccc(-n2cnnn2)cc1
InChI: InChI=1S/C7H5N5O2/c13-12(14)7-3-1-6(2-4-7)11-5-8-9-10-11/h1-5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.99 | AttenGpKa training set | 2 » 1 |
| -3.92 | OCHEM | 2 » 1 |
| -3.92 | Datawarrior | 2 » 1 |