Molecule ID: mol14609
SMILES: N=C(N)Nc1nccc(-c2csc(N)n2)n1
InChI: InChI=1S/C8H9N7S/c9-6(10)15-8-12-2-1-4(14-8)5-3-16-7(11)13-5/h1-3H,(H2,11,13)(H4,9,10,12,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.70 | Datawarrior | 2 » 1 |
| 2.70 | QSARToolbox | 2 » 1 |
| 9.20 | OCHEM | 1 » 0 |
| 9.20 | Datawarrior | 1 » 0 |