Molecule ID: mol26470
SMILES: O=[N+]([O-])c1ccc2nnn(O)c2c1
InChI: InChI=1S/C6H4N4O3/c11-9-6-3-4(10(12)13)1-2-5(6)7-8-9/h1-3,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.59 | AttenGpKa training set | 1 » 0 |
| 2.75 | AttenGpKa training set | 0 » -1 |