Molecule ID: mol2724

SMILES: CCc1cc(C)cc(CC)c1C1C(=O)CCCC1=O

InChI: InChI=1S/C17H22O2/c1-4-12-9-11(3)10-13(5-2)16(12)17-14(18)7-6-8-15(17)19/h9-10,17H,4-8H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization