Molecule ID: mol8502
SMILES: O=C(O)C[C@H](NCc1ccccc1)C(=O)O
InChI: InChI=1S/C11H13NO4/c13-10(14)6-9(11(15)16)12-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H,15,16)/t9-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.06 | IUPAC digitized pKa | 1 » 0 |
| 3.34 | IUPAC digitized pKa | 0 » -1 |
| 9.07 | IUPAC digitized pKa | -1 » -2 |