Molecule ID: mol13819
SMILES: Nc1nccc(-c2csc(N)n2)n1
InChI: InChI=1S/C7H7N5S/c8-6-10-2-1-4(11-6)5-3-13-7(9)12-5/h1-3H,(H2,9,12)(H2,8,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.60 | QSARToolbox | 2 » 1 |
| 2.60 | Datawarrior | 2 » 1 |
| 3.30 | OCHEM | 1 » 0 |
| 4.00 | Datawarrior | 1 » 0 |