Molecule ID: mol19903
SMILES: CCOCCNC[C@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1
InChI: InChI=1S/C20H25N3O3S/c1-2-25-10-9-21-12-16(24)14-26-17-7-5-15(6-8-17)20-22-13-18(23-20)19-4-3-11-27-19/h3-8,11,13,16,21,24H,2,9-10,12,14H2,1H3,(H,22,23)/t16-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | Baltruschat ChEMBL | 2 » 1 |