Molecule ID: mol16151
SMILES: CCN1CC(n2nccc2-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3cscn3)cc2C#N)C1
InChI: InChI=1S/C24H21ClN6O3S2/c1-2-30-12-18(13-30)31-21(7-8-28-31)20-10-17(25)3-5-23(20)34-22-6-4-19(9-16(22)11-26)36(32,33)29-24-14-35-15-27-24/h3-10,14-15,18,29H,2,12-13H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | Baltruschat ChEMBL | 1 » 0 |
| 7.40 | Baltruschat ChEMBL | 0 » -1 |