Molecule ID: mol20906
SMILES: Nc1ccc(CON[C@@H](CCC(=O)O)C(=O)O)cc1
InChI: InChI=1S/C12H16N2O5/c13-9-3-1-8(2-4-9)7-19-14-10(12(17)18)5-6-11(15)16/h1-4,10,14H,5-7,13H2,(H,15,16)(H,17,18)/t10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.76 | Baltruschat ChEMBL | 1 » 0 |
| 4.30 | Baltruschat ChEMBL | 1 » 0 |
| 4.83 | Baltruschat ChEMBL | 0 » -1 |