Molecule ID: mol8530
SMILES: C[C@H](NCc1ccccc1)C(=O)NCC(=O)O
InChI: InChI=1S/C12H16N2O3/c1-9(12(17)14-8-11(15)16)13-7-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,14,17)(H,15,16)/t9-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.28 | IUPAC digitized pKa | 1 » 0 |
| 7.05 | IUPAC digitized pKa | 0 » -1 |