Molecule ID: mol13830
SMILES: c1ccc(CSc2ncn[nH]2)cc1
InChI: InChI=1S/C9H9N3S/c1-2-4-8(5-3-1)6-13-9-10-7-11-12-9/h1-5,7H,6H2,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | Datawarrior | 0 » -1 |
| 9.50 | OCHEM | 0 » -1 |
| 9.50 | OCHEM | 0 » -1 |
| 9.50 | Baltruschat ChEMBL | 0 » -1 |
| 9.50 | QSARToolbox | 0 » -1 |