Molecule ID: mol18073
SMILES: CNCc1cc2cc(S(N)(=O)=O)oc2s1
InChI: InChI=1S/C8H10N2O3S2/c1-10-4-6-2-5-3-7(15(9,11)12)13-8(5)14-6/h2-3,10H,4H2,1H3,(H2,9,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.85 | Baltruschat ChEMBL | 1 » 0 |
| 9.25 | Baltruschat ChEMBL | 0 » -1 |