Molecule ID: mol641
SMILES: CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1
InChI: InChI=1S/C14H23N3O3S/c1-4-17(5-2)11-10-15-14(18)12-6-8-13(9-7-12)16-21(3,19)20/h6-9,16H,4-5,10-11H2,1-3H3,(H,15,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.52 | Hunt | 1 » 0 |
| 7.52 | Hunt | 1 » 0 |
| 7.60 | OCHEM | 1 » 0 |
| 9.35 | Hunt | 0 » -1 |
| 9.35 | Hunt | 0 » -1 |
| 9.50 | OCHEM | 0 » -1 |