Molecule ID: mol36582
SMILES: COC(=O)CCCCCNS(=O)(=O)c1ccc(Cl)cc1
InChI: InChI=1S/C13H18ClNO4S/c1-19-13(16)5-3-2-4-10-15-20(17,18)12-8-6-11(14)7-9-12/h6-9,15H,2-5,10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.15 | QSARToolbox | 0 » -1 |