Molecule ID: mol20683
SMILES: Cc1ncc(C2CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)[nH]1
InChI: InChI=1S/C22H24ClN3O3S/c1-15-24-14-21(25-15)16-6-9-26(10-7-16)22(27)8-11-30(28,29)20-5-3-17-12-19(23)4-2-18(17)13-20/h2-5,12-14,16H,6-11H2,1H3,(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | Baltruschat ChEMBL | 1 » 0 |