Molecule ID: mol32282

SMILES: COC(=O)CC1C(C(=O)O)NCC1C(C)O

InChI: InChI=1S/C10H17NO5/c1-5(12)7-4-11-9(10(14)15)6(7)3-8(13)16-2/h5-7,9,11-12H,3-4H2,1-2H3,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization