Molecule ID: mol2194
SMILES: CSc1ncnc(O)c1C
InChI: InChI=1S/C6H8N2OS/c1-4-5(9)7-3-8-6(4)10-2/h3H,1-2H3,(H,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.30 | QSARToolbox | 1 » 0 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.12 | IUPAC digitized pKa | 0 » -1 |
| 9.12 | Hunt | 0 » -1 |
| 9.17 | OCHEM | 0 » -1 |