Molecule ID: mol31945
SMILES: O=S(=O)(Nc1ccc(CCOCCCSCCNCCc2ccc(O)c3nc(O)sc23)cc1)c1ccccc1
InChI: InChI=1S/C28H33N3O5S3/c32-25-12-9-22(27-26(25)30-28(33)38-27)13-15-29-16-20-37-19-4-17-36-18-14-21-7-10-23(11-8-21)31-39(34,35)24-5-2-1-3-6-24/h1-3,5-12,29,31-32H,4,13-20H2,(H,30,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | OCHEM | 0 » -1 |