Molecule ID: mol21369
SMILES: Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(CN)c2)n1
InChI: InChI=1S/C24H23N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.80 | OCHEM | 1 » 0 |
| 8.80 | Baltruschat ChEMBL | 1 » 0 |