Molecule ID: mol13818
SMILES: N#Cc1ccc(-c2nnn[nH]2)cc1
InChI: InChI=1S/C8H5N5/c9-5-6-1-3-7(4-2-6)8-10-12-13-11-8/h1-4H,(H,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.53 | QSARToolbox | 0 » -1 |
| 3.53 | Datawarrior | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |