Molecule ID: mol15314
SMILES: CCOC(=O)COc1ccc(Oc2ccc(O)c(CN)c2)c(Cl)c1Cl
InChI: InChI=1S/C17H17Cl2NO5/c1-2-23-15(22)9-24-13-5-6-14(17(19)16(13)18)25-11-3-4-12(21)10(7-11)8-20/h3-7,21H,2,8-9,20H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.55 | Datawarrior | 1 » 0 |
| 8.55 | Baltruschat ChEMBL | 1 » 0 |
| 8.55 | QSARToolbox | 1 » 0 |
| 8.55 | OCHEM | 1 » 0 |