Molecule ID: mol18298
SMILES: CCCCNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12
InChI: InChI=1S/C26H28N4O4S/c1-4-5-15-27-26(31)20-11-8-10-19-24(18-9-6-7-12-21(18)28-25(19)20)29-22-14-13-17(16-23(22)34-2)30-35(3,32)33/h6-14,16,30H,4-5,15H2,1-3H3,(H,27,31)(H,28,29)
| 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 |