Molecule ID: mol22334

SMILES: CC1CC(C)CC(C(=O)O)C1

InChI: InChI=1S/C9H16O2/c1-6-3-7(2)5-8(4-6)9(10)11/h6-8H,3-5H2,1-2H3,(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