Molecule ID: mol7482
SMILES: Cc1cc(S)nc(C)n1
InChI: InChI=1S/C6H8N2S/c1-4-3-6(9)8-5(2)7-4/h3H,1-2H3,(H,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | QSARToolbox | 1 » 0 |
| 8.18 | IUPAC digitized pKa | 0 » -1 |
| 8.18 | QSARToolbox | 0 » -1 |
| 8.20 | OCHEM | 0 » -1 |