Molecule ID: mol4679
SMILES: CSc1cnc2ccccc2n1
InChI: InChI=1S/C9H8N2S/c1-12-9-6-10-7-4-2-3-5-8(7)11-9/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.26 | OCHEM | 1 » 0 |
| 0.26 | QSARToolbox | 1 » 0 |
| 0.26 | Datawarrior | 1 » 0 |
| 0.26 | AttenGpKa training set | 1 » 0 |
| 0.28 | OCHEM | 1 » 0 |
| 0.29 | QSARToolbox | 1 » 0 |