Molecule ID: mol22340

SMILES: C=C(C)C(C)C(C)(C)C(=O)O

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization