Molecule ID: mol4461
SMILES: CSc1cccc2cccnc12
InChI: InChI=1S/C10H9NS/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | IUPAC digitized pKa | 1 » 0 |
| 3.50 | IUPAC digitized pKa | 1 » 0 |
| 3.50 | AttenGpKa training set | 1 » 0 |
| 3.53 | IUPAC digitized pKa | 1 » 0 |