Molecule ID: mol14414
SMILES: CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc(NS(=O)(=O)c2ccc(N)cc2)c1
InChI: InChI=1S/C25H27N3O6S/c1-5-33-24(29)21-15(3)27-16(4)22(25(30)34-6-2)23(21)17-8-7-9-19(14-17)28-35(31,32)20-12-10-18(26)11-13-20/h7-14,28H,5-6,26H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.70 | OCHEM | 0 » -1 |
| 9.70 | Datawarrior | 0 » -1 |