Molecule ID: mol31835
SMILES: COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O
InChI: InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.19 | OCHEM | 1 » 0 |
| 3.19 | OCHEM | 1 » 0 |
| 3.19 | OCHEM | 1 » 0 |
| 7.87 | OCHEM | 0 » -1 |
| 7.87 | OCHEM | 0 » -1 |
| 7.87 | OCHEM | 0 » -1 |