Molecule ID: mol32006
SMILES: O=[N+]([O-])c1ccc(CCOCCCS(=O)(=O)CCNCCc2ccc(O)c3nc(O)sc23)cc1
InChI: InChI=1S/C22H27N3O7S2/c26-19-7-4-17(21-20(19)24-22(27)33-21)8-10-23-11-15-34(30,31)14-1-12-32-13-9-16-2-5-18(6-3-16)25(28)29/h2-7,23,26H,1,8-15H2,(H,24,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | OCHEM | 0 » -1 |