Molecule ID: mol19258
SMILES: CC(C(=O)O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1
InChI: InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.90 | OCHEM | 0 » -1 |
| 6.90 | Baltruschat ChEMBL | 0 » -1 |