Molecule ID: mol20928
SMILES: O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChI: InChI=1S/C18H18N2O6S/c21-17(19-16-7-2-1-6-15(16)18(22)23)13-4-3-5-14(12-13)27(24,25)20-8-10-26-11-9-20/h1-7,12H,8-11H2,(H,19,21)(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.18 | OCHEM | 0 » -1 |
| 3.18 | Baltruschat ChEMBL | 0 » -1 |