Molecule ID: mol542
SMILES: CCC(CC)NC(=O)c1c(C)nn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1
InChI: InChI=1S/C20H30N4O3S/c1-7-16(8-2)21-20(25)18-15(6)22-24(13(3)4)19(18)23-28(26,27)17-11-9-14(5)10-12-17/h9-13,16,23H,7-8H2,1-6H3,(H,21,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | Hunt | 0 » -1 |