Molecule ID: mol25105
SMILES: Cc1ncc(CO)c(CS)c1O
InChI: InChI=1S/C8H11NO2S/c1-5-8(11)7(4-12)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.45 | AttenGpKa training set | 1 » 0 |
| 8.85 | AttenGpKa training set | 0 » -1 |