Molecule ID: mol32325

SMILES: C=C(C)C1CN(C(C)=O)C(C(=O)OC)C1CC(=O)O

InChI: InChI=1S/C13H19NO5/c1-7(2)10-6-14(8(3)15)12(13(18)19-4)9(10)5-11(16)17/h9-10,12H,1,5-6H2,2-4H3,(H,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.60 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization