Molecule ID: mol15019
SMILES: CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl
InChI: InChI=1S/C18H17Cl2NO5/c1-2-25-15(23)9-26-14-6-4-12(16(19)17(14)20)18(24)10-3-5-13(22)11(7-10)8-21/h3-7,22H,2,8-9,21H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.38 | Datawarrior | 1 » 0 |
| 6.38 | Baltruschat ChEMBL | 1 » 0 |
| 6.38 | OCHEM | 1 » 0 |
| 6.38 | QSARToolbox | 1 » 0 |
| 10.60 | Datawarrior | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |