Molecule ID: mol13817
SMILES: N#Cc1cccc(-c2nnn[nH]2)c1
InChI: InChI=1S/C8H5N5/c9-5-6-2-1-3-7(4-6)8-10-12-13-11-8/h1-4H,(H,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.45 | Datawarrior | 0 » -1 |
| 3.45 | OCHEM | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |