Molecule ID: mol16377
SMILES: O=S(=O)(Nc1cc2c(c3ccccc13)OC1(N3CCOCC3)CCCCC21)c1ccccc1
InChI: InChI=1S/C26H28N2O4S/c29-33(30,19-8-2-1-3-9-19)27-24-18-22-23-12-6-7-13-26(23,28-14-16-31-17-15-28)32-25(22)21-11-5-4-10-20(21)24/h1-5,8-11,18,23,27H,6-7,12-17H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.56 | Baltruschat ChEMBL | 1 » 0 |