Molecule ID: mol2743

SMILES: CCc1cc(C)cc(CC)c1C1C(=O)CCC1=O

InChI: InChI=1S/C16H20O2/c1-4-11-8-10(3)9-12(5-2)15(11)16-13(17)6-7-14(16)18/h8-9,16H,4-7H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization