Molecule ID: mol4459
SMILES: CSc1cccc2ncccc12
InChI: InChI=1S/C10H9NS/c1-12-10-6-2-5-9-8(10)4-3-7-11-9/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.46 | IUPAC digitized pKa | 1 » 0 |
| 4.50 | Datawarrior | 1 » 0 |
| 4.50 | OCHEM | 1 » 0 |
| 4.50 | QSARToolbox | 1 » 0 |
| 4.50 | AttenGpKa training set | 1 » 0 |