Molecule ID: mol17796
SMILES: COc1ccc(OC(=O)Nc2cc(Cl)ccc2O)cc1
InChI: InChI=1S/C14H12ClNO4/c1-19-10-3-5-11(6-4-10)20-14(18)16-12-8-9(15)2-7-13(12)17/h2-8,17H,1H3,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.21 | OCHEM | 0 » -1 |
| 10.21 | Baltruschat ChEMBL | 0 » -1 |