Molecule ID: mol2715

SMILES: CCc1cc(C)cc(CC)c1C1C(=O)CC2(CCOCC2)CC1=O

InChI: InChI=1S/C21H28O3/c1-4-15-10-14(3)11-16(5-2)19(15)20-17(22)12-21(13-18(20)23)6-8-24-9-7-21/h10-11,20H,4-9,12-13H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization