Molecule ID: mol22331

SMILES: CC1CCCC(CC(=O)O)C1

InChI: InChI=1S/C9H16O2/c1-7-3-2-4-8(5-7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization