Molecule ID: mol31957
SMILES: C[C@@H](Cc1ccccc1)OCCCS(=O)(=O)CCNCCc1ccc(O)c2nc(O)sc12
InChI: InChI=1S/C23H30N2O5S2/c1-17(16-18-6-3-2-4-7-18)30-13-5-14-32(28,29)15-12-24-11-10-19-8-9-20(26)21-22(19)31-23(27)25-21/h2-4,6-9,17,24,26H,5,10-16H2,1H3,(H,25,27)/t17-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | OCHEM | 0 » -1 |