Molecule ID: mol10453

SMILES: O=C(O)CCCC1CCOC1=O

InChI: InChI=1S/C8H12O4/c9-7(10)3-1-2-6-4-5-12-8(6)11/h6H,1-5H2,(H,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.75 AttenGpKa training set 0 » -1
4.76 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization