Molecule ID: mol30921
SMILES: COC(=O)C(Cc1ccccc1)NCC(=O)c1ccc(O)cc1
InChI: InChI=1S/C18H19NO4/c1-23-18(22)16(11-13-5-3-2-4-6-13)19-12-17(21)14-7-9-15(20)10-8-14/h2-10,16,19-20H,11-12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.10 | AttenGpKa training set | 0 » -1 |
| 8.10 | AttenGpKa training set | 0 » -1 |