Molecule ID: mol2702

SMILES: CC1(C)C(=O)C(C(=O)C2CC2)C(=O)C(C)(C)C1=O

InChI: InChI=1S/C14H18O4/c1-13(2)10(16)8(9(15)7-5-6-7)11(17)14(3,4)12(13)18/h7-8H,5-6H2,1-4H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.03 Caine 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization