Molecule ID: mol2714

SMILES: CC#Cc1cc(Cl)c(C2C(=O)CC3(CCOCC3)CC2=O)c(OC)c1

InChI: InChI=1S/C20H21ClO4/c1-3-4-13-9-14(21)18(17(10-13)24-2)19-15(22)11-20(12-16(19)23)5-7-25-8-6-20/h9-10,19H,5-8,11-12H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization