Molecule ID: mol14647
SMILES: CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN)c2)cc1
InChI: InChI=1S/C18H19NO5/c1-2-23-17(21)11-24-15-6-3-12(4-7-15)18(22)13-5-8-16(20)14(9-13)10-19/h3-9,20H,2,10-11,19H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.34 | Datawarrior | 1 » 0 |
| 7.34 | Baltruschat ChEMBL | 1 » 0 |
| 7.34 | QSARToolbox | 1 » 0 |
| 7.34 | OCHEM | 1 » 0 |