Molecule ID: mol11601
SMILES: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChI: InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 3.68 | QSARToolbox | 0 » -1 |
| 3.81 | IUPAC digitized pKa | 0 » -1 |
| 10.00 | IUPAC digitized pKa | -1 » -2 |
| 10.22 | IUPAC digitized pKa | -1 » -2 |