Molecule ID: mol29407
SMILES: O=C(O)CC[C@H](NCc1ccccc1)C(=O)O
InChI: InChI=1S/C12H15NO4/c14-11(15)7-6-10(12(16)17)13-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,14,15)(H,16,17)/t10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.49 | AttenGpKa training set | 1 » 0 |
| 4.99 | AttenGpKa training set | 0 » -1 |