Molecule ID: mol16963

SMILES: CCOC(=O)[C@@H](N)CCC(=O)NCCSC(=O)C(C)(C)C

InChI: InChI=1S/C14H26N2O4S/c1-5-20-12(18)10(15)6-7-11(17)16-8-9-21-13(19)14(2,3)4/h10H,5-9,15H2,1-4H3,(H,16,17)/t10-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.90 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization