Molecule ID: mol4201
SMILES: Sc1ncccn1
InChI: InChI=1S/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.30 | Datawarrior | 1 » 0 |
| 1.35 | AttenGpKa training set | 1 » 0 |
| 6.90 | OCHEM | 0 » -1 |
| 6.90 | OCHEM | 0 » -1 |
| 7.10 | IUPAC digitized pKa | 0 » -1 |
| 7.14 | AttenGpKa training set | 0 » -1 |
| 7.20 | OCHEM | 0 » -1 |
| 7.20 | Datawarrior | 0 » -1 |