Molecule ID: mol4217
SMILES: CSc1cc(C)ncn1
InChI: InChI=1S/C6H8N2S/c1-5-3-6(9-2)8-4-7-5/h3-4H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.16 | IUPAC digitized pKa | 1 » 0 |
| 3.16 | OCHEM | 1 » 0 |
| 3.25 | Datawarrior | 1 » 0 |
| 3.25 | OCHEM | 1 » 0 |
| 3.25 | AttenGpKa training set | 1 » 0 |