Molecule ID: mol13461
SMILES: O=[N+]([O-])c1ccccc1-c1nnn[nH]1
InChI: InChI=1S/C7H5N5O2/c13-12(14)6-4-2-1-3-5(6)7-8-10-11-9-7/h1-4H,(H,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.30 | AttenGpKa training set | 1 » 0 |
| 2.98 | Datawarrior | 0 » -1 |
| 2.98 | OCHEM | 0 » -1 |
| 2.98 | QSARToolbox | 0 » -1 |
| 3.22 | AttenGpKa training set | 0 » -1 |