Molecule ID: mol20838
SMILES: COc1cc(Cl)c(Nc2ccccc2CC(=O)O)c(Cl)c1
InChI: InChI=1S/C15H13Cl2NO3/c1-21-10-7-11(16)15(12(17)8-10)18-13-5-3-2-4-9(13)6-14(19)20/h2-5,7-8,18H,6H2,1H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | Baltruschat ChEMBL | 1 » 0 |