Molecule ID: mol23615

SMILES: CC(C)Cc1ccc(C(CC(=O)O)C(C)C)cc1

InChI: InChI=1S/C16H24O2/c1-11(2)9-13-5-7-14(8-6-13)15(12(3)4)10-16(17)18/h5-8,11-12,15H,9-10H2,1-4H3,(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization