Molecule ID: mol7107
SMILES: CSc1cc(N)ncn1
InChI: InChI=1S/C5H7N3S/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3,(H2,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.94 | IUPAC digitized pKa | 1 » 0 |
| 3.94 | OCHEM | 1 » 0 |
| 3.94 | AttenGpKa training set | 1 » 0 |
| 3.94 | QSARToolbox | 1 » 0 |