Molecule ID: mol20682
SMILES: Cn1cncc1C1CCN(C(=O)CCS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChI: InChI=1S/C22H24ClN3O3S/c1-25-15-24-14-21(25)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/h2-5,12-16H,6-11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | Baltruschat ChEMBL | 1 » 0 |