Molecule ID: mol12844
SMILES: CSc1nc(N)c2[nH]cnc2n1
InChI: InChI=1S/C6H7N5S/c1-12-6-10-4(7)3-5(11-6)9-2-8-3/h2H,1H3,(H3,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | OCHEM | 1 » 0 |
| 3.10 | Datawarrior | 1 » 0 |
| 10.20 | Datawarrior | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |