Molecule ID: mol2815
SMILES: CCOc1ccc2nc(S(N)(=O)=O)sc2c1
InChI: InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | OCHEM | 0 » -1 |
| 8.10 | AttenGpKa training set | 0 » -1 |
| 8.36 | Novartis | 0 » -1 |