Molecule ID: mol16171
SMILES: O=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1
InChI: InChI=1S/C14H7Cl2NO3S/c15-9-3-1-7(5-10(9)16)11-4-2-8(20-11)6-12-13(18)17-14(19)21-12/h1-6H,(H,17,18,19)/b12-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | Baltruschat ChEMBL | 0 » -1 |