Molecule ID: mol18065
SMILES: COCCOCCCNCc1cc2cc(S(N)(=O)=O)oc2s1
InChI: InChI=1S/C13H20N2O5S2/c1-18-5-6-19-4-2-3-15-9-11-7-10-8-12(22(14,16)17)20-13(10)21-11/h7-8,15H,2-6,9H2,1H3,(H2,14,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.42 | Baltruschat ChEMBL | 1 » 0 |
| 9.00 | Baltruschat ChEMBL | 0 » -1 |