Molecule ID: mol18810
SMILES: Cc1ccc2cccc(OS(=O)(=O)CCCNC(=O)[C@@H](N)CC(C)C)c2n1
InChI: InChI=1S/C19H27N3O4S/c1-13(2)12-16(20)19(23)21-10-5-11-27(24,25)26-17-7-4-6-15-9-8-14(3)22-18(15)17/h4,6-9,13,16H,5,10-12,20H2,1-3H3,(H,21,23)/t16-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.90 | Baltruschat ChEMBL | 0 » -1 |