Molecule ID: mol13831
SMILES: c1ccc(CSc2cnn[nH]2)cc1
InChI: InChI=1S/C9H9N3S/c1-2-4-8(5-3-1)7-13-9-6-10-12-11-9/h1-6H,7H2,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | OCHEM | 0 » -1 |
| 8.20 | QSARToolbox | 0 » -1 |
| 8.20 | Datawarrior | 0 » -1 |
| 8.20 | OCHEM | 0 » -1 |
| 8.20 | Baltruschat ChEMBL | 0 » -1 |