Molecule ID: mol14028
SMILES: Nc1nc(S)c2[nH]cnc2n1
InChI: InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | OCHEM | 0 » -1 |
| 8.20 | QSARToolbox | 0 » -1 |
| 8.20 | Datawarrior | 0 » -1 |
| 11.60 | Datawarrior | -1 » -2 |
| 11.60 | OCHEM | -1 » -2 |