Molecule ID: mol2719

SMILES: CC#Cc1cc(Cl)c(C2C(=O)C3CCC(C3)C2=O)c(OC)c1

InChI: InChI=1S/C18H17ClO3/c1-3-4-10-7-13(19)15(14(8-10)22-2)16-17(20)11-5-6-12(9-11)18(16)21/h7-8,11-12,16H,5-6,9H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization