Molecule ID: mol5996
SMILES: O=C(O)CN(CC(=O)O)CC(=O)Nc1ccc(Br)cc1
InChI: InChI=1S/C12H13BrN2O5/c13-8-1-3-9(4-2-8)14-10(16)5-15(6-11(17)18)7-12(19)20/h1-4H,5-7H2,(H,14,16)(H,17,18)(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.60 | IUPAC digitized pKa | 1 » 0 |
| 1.60 | IUPAC digitized pKa | 1 » 0 |
| 2.20 | IUPAC digitized pKa | 0 » -1 |
| 2.20 | IUPAC digitized pKa | 0 » -1 |
| 5.90 | IUPAC digitized pKa | -1 » -2 |
| 5.90 | IUPAC digitized pKa | -1 » -2 |