Molecule ID: mol29454
SMILES: C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI: InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.33 | QSARToolbox | 1 » 0 |
| 7.94 | QSARToolbox | 0 » -1 |
| 8.50 | AttenGpKa training set | 0 » -1 |