Molecule ID: mol14489
SMILES: c1coc(CSc2ncnc3nc[nH]c23)c1
InChI: InChI=1S/C10H8N4OS/c1-2-7(15-3-1)4-16-10-8-9(12-5-11-8)13-6-14-10/h1-3,5-6H,4H2,(H,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.42 | Datawarrior | 0 » -1 |
| 8.42 | QSARToolbox | 0 » -1 |
| 8.42 | OCHEM | 0 » -1 |