Molecule ID: mol12841
SMILES: c1ccc(Nc2nnn[nH]2)cc1
InChI: InChI=1S/C7H7N5/c1-2-4-6(5-3-1)8-7-9-11-12-10-7/h1-5H,(H2,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.86 | QSARToolbox | 0 » -1 |
| 6.30 | Datawarrior | 0 » -1 |
| 6.30 | QSARToolbox | 0 » -1 |
| 6.30 | OCHEM | 0 » -1 |