Molecule ID: mol21031
SMILES: COC(=O)CC1c2ccc(Cl)cc2NC(=O)C1S(=O)(=O)c1ccccc1
InChI: InChI=1S/C18H16ClNO5S/c1-25-16(21)10-14-13-8-7-11(19)9-15(13)20-18(22)17(14)26(23,24)12-5-3-2-4-6-12/h2-9,14,17H,10H2,1H3,(H,20,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.80 | OCHEM | 0 » -1 |
| 10.80 | Baltruschat ChEMBL | 0 » -1 |