Molecule ID: mol7484
SMILES: COc1ncnc(S)c1C
InChI: InChI=1S/C6H8N2OS/c1-4-5(9-2)7-3-8-6(4)10/h3H,1-2H3,(H,7,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.59 | QSARToolbox | 1 » 0 |
| 7.90 | IUPAC digitized pKa | 0 » -1 |
| 7.90 | OCHEM | 0 » -1 |
| 7.90 | QSARToolbox | 0 » -1 |