Molecule ID: mol10452

SMILES: O=C(O)CCC1CCCC1=O

InChI: InChI=1S/C8H12O3/c9-7-3-1-2-6(7)4-5-8(10)11/h6H,1-5H2,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization