Molecule ID: mol18066
SMILES: COCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)oc2s1
InChI: InChI=1S/C13H20N2O5S2/c1-18-5-3-15(4-6-19-2)9-11-7-10-8-12(22(14,16)17)20-13(10)21-11/h7-8H,3-6,9H2,1-2H3,(H2,14,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.57 | Baltruschat ChEMBL | 1 » 0 |
| 8.95 | Baltruschat ChEMBL | 0 » -1 |