Molecule ID: mol31971
SMILES: O=S(=O)(CCCNCCc1ccc(O)c2nc(O)sc12)CCOCCc1cccc2ccccc12
InChI: InChI=1S/C26H30N2O5S2/c29-23-10-9-21(25-24(23)28-26(30)34-25)11-14-27-13-4-17-35(31,32)18-16-33-15-12-20-7-3-6-19-5-1-2-8-22(19)20/h1-3,5-10,27,29H,4,11-18H2,(H,28,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | OCHEM | 1 » 0 |