Molecule ID: mol31984
SMILES: NC(=O)c1ccc(CCOCCCS(=O)(=O)CCNCCc2ccc(O)c3nc(O)sc23)cc1
InChI: InChI=1S/C23H29N3O6S2/c24-22(28)18-4-2-16(3-5-18)9-13-32-12-1-14-34(30,31)15-11-25-10-8-17-6-7-19(27)20-21(17)33-23(29)26-20/h2-7,25,27H,1,8-15H2,(H2,24,28)(H,26,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | OCHEM | 0 » -1 |