Molecule ID: mol18274
SMILES: CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12
InChI: InChI=1S/C23H22N4O4S/c1-24-23(28)17-9-6-8-16-21(15-7-4-5-10-18(15)25-22(16)17)26-19-12-11-14(13-20(19)31-2)27-32(3,29)30/h4-13,27H,1-3H3,(H,24,28)(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.36 | OCHEM | 1 » 0 |
| 6.36 | Baltruschat ChEMBL | 1 » 0 |
| 6.36 | Baltruschat ChEMBL | 1 » 0 |
| 6.36 | Baltruschat ChEMBL | 1 » 0 |
| 6.36 | Baltruschat ChEMBL | 1 » 0 |