Molecule ID: mol22315

SMILES: CC(C)(C)C#CC#CC(=O)O

InChI: InChI=1S/C9H10O2/c1-9(2,3)7-5-4-6-8(10)11/h1-3H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization