Molecule ID: mol16123
SMILES: COCCNCc1cc2cc(S(N)(=O)=O)oc2s1
InChI: InChI=1S/C10H14N2O4S2/c1-15-3-2-12-6-8-4-7-5-9(18(11,13)14)16-10(7)17-8/h4-5,12H,2-3,6H2,1H3,(H2,11,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | Baltruschat ChEMBL | 1 » 0 |
| 9.05 | Baltruschat ChEMBL | 0 » -1 |