Molecule ID: mol7105
SMILES: CSc1ccnc(N)n1
InChI: InChI=1S/C5H7N3S/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.73 | IUPAC digitized pKa | 1 » 0 |
| 4.73 | OCHEM | 1 » 0 |
| 4.73 | QSARToolbox | 1 » 0 |
| 4.75 | AttenGpKa training set | 1 » 0 |