Molecule ID: mol15313
SMILES: CCOC(=O)COc1ccc(Cc2ccc(O)c(CN)c2)c(Cl)c1Cl
InChI: InChI=1S/C18H19Cl2NO4/c1-2-24-16(23)10-25-15-6-4-12(17(19)18(15)20)7-11-3-5-14(22)13(8-11)9-21/h3-6,8,22H,2,7,9-10,21H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.73 | OCHEM | 1 » 0 |
| 8.73 | QSARToolbox | 1 » 0 |
| 8.73 | Datawarrior | 1 » 0 |
| 8.73 | Baltruschat ChEMBL | 1 » 0 |