Molecule ID: mol29480

SMILES: CCC(NC(=O)C(C)NC(=O)OCc1ccccc1)C(=O)O

InChI: InChI=1S/C15H20N2O5/c1-3-12(14(19)20)17-13(18)10(2)16-15(21)22-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization