Molecule ID: mol33246

SMILES: O=C(O)C1CC(Cl)CC(C(=O)O)N1

InChI: InChI=1S/C7H10ClNO4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h3-5,9H,1-2H2,(H,10,11)(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization