Molecule ID: mol4045
SMILES: CSc1ccnnc1
InChI: InChI=1S/C5H6N2S/c1-8-5-2-3-6-7-4-5/h2-4H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.24 | IUPAC digitized pKa | 1 » 0 |
| 3.24 | OCHEM | 1 » 0 |
| 3.24 | QSARToolbox | 1 » 0 |
| 3.26 | AttenGpKa training set | 1 » 0 |