Molecule ID: mol31979
SMILES: O=C(CCCCCNCCc1ccc(O)c2nc(O)sc12)NCCc1ccccc1
InChI: InChI=1S/C23H29N3O3S/c27-19-11-10-18(22-21(19)26-23(29)30-22)13-15-24-14-6-2-5-9-20(28)25-16-12-17-7-3-1-4-8-17/h1,3-4,7-8,10-11,24,27H,2,5-6,9,12-16H2,(H,25,28)(H,26,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | OCHEM | 1 » 0 |