Molecule ID: mol31963
SMILES: O=S(=O)(CCCOCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)CCNCCc1ccc(O)c2nc(O)sc12
InChI: InChI=1S/C28H33N3O7S3/c32-25-12-9-22(27-26(25)30-28(33)39-27)13-15-29-16-20-40(34,35)19-4-17-38-18-14-21-7-10-23(11-8-21)31-41(36,37)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 |