Molecule ID: mol5485
SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChI: InChI=1S/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25)/t15-,16-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.52 | IUPAC digitized pKa | 1 » 0 |
| 7.68 | IUPAC digitized pKa | 0 » -1 |
| 9.80 | IUPAC digitized pKa | -1 » -2 |
| 10.26 | IUPAC digitized pKa | -2 » -3 |