Molecule ID: mol2742

SMILES: Cc1cc(C)c(C2C(=O)CC(CC3CCOCC3)C2=O)c(C)c1

InChI: InChI=1S/C20H26O3/c1-12-8-13(2)18(14(3)9-12)19-17(21)11-16(20(19)22)10-15-4-6-23-7-5-15/h8-9,15-16,19H,4-7,10-11H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization