Molecule ID: mol17802
SMILES: O=C(Nc1cc(Cl)ccc1O)OCC(Cl)(Cl)Cl
InChI: InChI=1S/C9H7Cl4NO3/c10-5-1-2-7(15)6(3-5)14-8(16)17-4-9(11,12)13/h1-3,15H,4H2,(H,14,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.65 | OCHEM | -1 » -2 |
| 12.65 | Baltruschat ChEMBL | -1 » -2 |