Molecule ID: mol7483
SMILES: COc1cc(S)ncn1
InChI: InChI=1S/C5H6N2OS/c1-8-4-2-5(9)7-3-6-4/h2-3H,1H3,(H,6,7,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.98 | QSARToolbox | 1 » 0 |
| 7.51 | IUPAC digitized pKa | 0 » -1 |
| 7.51 | OCHEM | 0 » -1 |
| 7.51 | QSARToolbox | 0 » -1 |