Molecule ID: mol2723

SMILES: CC#Cc1cc(Cl)c(C2C(=O)CCCC2=O)c(OC)c1

InChI: InChI=1S/C16H15ClO3/c1-3-5-10-8-11(17)15(14(9-10)20-2)16-12(18)6-4-7-13(16)19/h8-9,16H,4,6-7H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization