Molecule ID: mol5159
SMILES: CN1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C2
InChI: InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.72 | QSARToolbox | 0 » -1 |
| 11.74 | QSARToolbox | 0 » -1 |
| 11.80 | IUPAC digitized pKa | 0 » -1 |