Molecule ID: mol32002
SMILES: CS(=O)(=O)Nc1ccc(CCOCCCS(=O)(=O)CCNCCc2ccc(O)c3nc(O)sc23)cc1
InChI: InChI=1S/C23H31N3O7S3/c1-35(29,30)26-19-6-3-17(4-7-19)10-14-33-13-2-15-36(31,32)16-12-24-11-9-18-5-8-20(27)21-22(18)34-23(28)25-21/h3-8,24,26-27H,2,9-16H2,1H3,(H,25,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | OCHEM | 0 » -1 |