Molecule ID: mol2741

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

InChI: InChI=1S/C22H26O3/c1-4-5-17-10-14(2)20(15(3)11-17)21-19(23)13-18(22(21)24)12-16-6-8-25-9-7-16/h10-11,16,18,21H,6-9,12-13H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization