Molecule ID: mol5487
SMILES: CCOC(=O)[C@@H](N)Cc1ccc(O)cc1
InChI: InChI=1S/C11H15NO3/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10,13H,2,7,12H2,1H3/t10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.19 | AttenGpKa training set | 1 » 0 |
| 7.19 | QSARToolbox | 1 » 0 |
| 7.33 | IUPAC digitized pKa | 1 » 0 |
| 9.76 | AttenGpKa training set | 0 » -1 |
| 9.80 | IUPAC digitized pKa | 0 » -1 |