Molecule ID: mol17950
SMILES: Cc1ccc2nc3sc(S(C)(=O)=O)nc3c(O)c2c1
InChI: InChI=1S/C12H10N2O3S2/c1-6-3-4-8-7(5-6)10(15)9-11(13-8)18-12(14-9)19(2,16)17/h3-5H,1-2H3,(H,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | AttenGpKa training set | 1 » 0 |
| 4.00 | OCHEM | 0 » -1 |
| 4.00 | Baltruschat ChEMBL | 0 » -1 |