Molecule ID: mol2722

SMILES: CCc1cc(C)cc(CC)c1C1C(=O)C2CCC(C2)C1=O

InChI: InChI=1S/C19H24O2/c1-4-12-8-11(3)9-13(5-2)16(12)17-18(20)14-6-7-15(10-14)19(17)21/h8-9,14-15,17H,4-7,10H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization