Molecule ID: mol17415
SMILES: Oc1n[nH]c(SCc2ccccc2)n1
InChI: InChI=1S/C9H9N3OS/c13-8-10-9(12-11-8)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.03 | OCHEM | 0 » -1 |
| 6.03 | Baltruschat ChEMBL | 0 » -1 |
| 7.85 | OCHEM | 0 » -1 |
| 7.85 | Baltruschat ChEMBL | 0 » -1 |