Molecule ID: mol36153
SMILES: O=C(O)CN(CCN(CC(=O)O)S(=O)(=O)c1ccc(CCBr)cc1)CC(=O)O
InChI: InChI=1S/C16H21BrN2O8S/c17-6-5-12-1-3-13(4-2-12)28(26,27)19(11-16(24)25)8-7-18(9-14(20)21)10-15(22)23/h1-4H,5-11H2,(H,20,21)(H,22,23)(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.59 | QSARToolbox | -2 » -3 |