Molecule ID: mol14616
SMILES: O=C(O)CN(CCNS(=O)(=O)c1ccc(CCBr)cc1)CC(=O)O
InChI: InChI=1S/C14H19BrN2O6S/c15-6-5-11-1-3-12(4-2-11)24(22,23)16-7-8-17(9-13(18)19)10-14(20)21/h1-4,16H,5-10H2,(H,18,19)(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.15 | Datawarrior | 0 » -1 |
| 2.15 | OCHEM | 0 » -1 |
| 7.75 | Datawarrior | -1 » -2 |
| 7.75 | QSARToolbox | -1 » -2 |