Molecule ID: mol13682

SMILES: O=C(O)CCCOC(=O)CCCBr

InChI: InChI=1S/C8H13BrO4/c9-5-1-4-8(12)13-6-2-3-7(10)11/h1-6H2,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization