Molecule ID: mol18070
SMILES: COCCOCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)oc2s1
InChI: InChI=1S/C15H24N2O6S2/c1-20-5-3-17(4-6-22-8-7-21-2)11-13-9-12-10-14(25(16,18)19)23-15(12)24-13/h9-10H,3-8,11H2,1-2H3,(H2,16,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.55 | Baltruschat ChEMBL | 1 » 0 |
| 8.85 | Baltruschat ChEMBL | 0 » -1 |