Molecule ID: mol18135
SMILES: COc1cc(C)c(S(=O)(=O)NC(=O)c2cccc3cccnc23)cc1-c1ccc(C#CCO)s1
InChI: InChI=1S/C25H20N2O5S2/c1-16-14-21(32-2)20(22-11-10-18(33-22)8-5-13-28)15-23(16)34(30,31)27-25(29)19-9-3-6-17-7-4-12-26-24(17)19/h3-4,6-7,9-12,14-15,28H,13H2,1-2H3,(H,27,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | Baltruschat ChEMBL | 0 » -1 |