Molecule ID: mol1621
SMILES: CSc1cc(O)ncn1
InChI: InChI=1S/C5H6N2OS/c1-9-5-2-4(8)6-3-7-5/h2-3H,1H3,(H,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -7.30 | QSARToolbox | 2 » 1 |
| -0.11 | QSARToolbox | 1 » 0 |
| 8.47 | OCHEM | 0 » -1 |
| 8.47 | QSARToolbox | 0 » -1 |
| 8.52 | IUPAC digitized pKa | 0 » -1 |
| 8.52 | IUPAC digitized pKa | 0 » -1 |
| 8.52 | Hunt | 0 » -1 |
| 8.52 | AttenGpKa training set | 0 » -1 |
| 8.52 | QSARToolbox | 0 » -1 |