Molecule ID: mol36919
SMILES: O=S1(=O)OC(c2ccc(NCCO)cc2)(c2ccc(NCCO)cc2)c2ccccc21
InChI: InChI=1S/C23H24N2O5S/c26-15-13-24-19-9-5-17(6-10-19)23(18-7-11-20(12-8-18)25-14-16-27)21-3-1-2-4-22(21)31(28,29)30-23/h1-12,24-27H,13-16H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.51 | QSARToolbox | 1 » 0 |