Molecule ID: mol29988

SMILES: COC(=O)C(NC(=O)C(CSO)NC(=O)OCc1ccccc1)C(C)C

InChI: InChI=1S/C17H24N2O6S/c1-11(2)14(16(21)24-3)19-15(20)13(10-26-23)18-17(22)25-9-12-7-5-4-6-8-12/h4-8,11,13-14,23H,9-10H2,1-3H3,(H,18,22)(H,19,20)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.10 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization