Molecule ID: mol20835
SMILES: O=C(O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl
InChI: InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | Baltruschat ChEMBL | 1 » 0 |