Molecule ID: mol22330

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

InChI: InChI=1S/C9H16O2/c1-7-4-3-5-9(2,6-7)8(10)11/h7H,3-6H2,1-2H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization