Molecule ID: mol16462
SMILES: CCC1(C)NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2NC1=O
InChI: InChI=1S/C18H18ClN3O4S/c1-3-18(2)17(24)20-14-9-8-11(10-12(14)16(23)21-18)27(25,26)22-15-7-5-4-6-13(15)19/h4-10,22H,3H2,1-2H3,(H,20,24)(H,21,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | Baltruschat ChEMBL | 0 » -1 |