Molecule ID: mol16139
SMILES: C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
InChI: InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.70 | OCHEM | 1 » 0 |
| 1.25 | QSARToolbox | 1 » 0 |
| 3.17 | QSARToolbox | 0 » -1 |
| 3.20 | Baltruschat ChEMBL | 0 » -1 |
| 7.84 | OCHEM | -1 » -2 |
| 7.84 | Baltruschat ChEMBL | -1 » -2 |
| 8.02 | OCHEM | -1 » -2 |
| 8.02 | Baltruschat ChEMBL | -1 » -2 |