Molecule ID: mol2744

SMILES: Cc1cc(C)c(C2C(=O)CC(Cc3ccccn3)C2=O)c(C)c1

InChI: InChI=1S/C20H21NO2/c1-12-8-13(2)18(14(3)9-12)19-17(22)11-15(20(19)23)10-16-6-4-5-7-21-16/h4-9,15,19H,10-11H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization