Molecule ID: mol34429

SMILES: CCOP(=O)(CCCCC(=O)O)OCC

InChI: InChI=1S/C9H19O5P/c1-3-13-15(12,14-4-2)8-6-5-7-9(10)11/h3-8H2,1-2H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization