Molecule ID: mol7905
SMILES: CCSc1ccc2cncnc2c1
InChI: InChI=1S/C10H10N2S/c1-2-13-9-4-3-8-6-11-7-12-10(8)5-9/h3-7H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.11 | QSARToolbox | 1 » 0 |
| 3.11 | OCHEM | 1 » 0 |
| 3.11 | OCHEM | 1 » 0 |
| 3.11 | AttenGpKa training set | 1 » 0 |