Molecule ID: mol2739

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

InChI: InChI=1S/C22H21NO2/c1-4-7-16-10-14(2)20(15(3)11-16)21-19(24)13-17(22(21)25)12-18-8-5-6-9-23-18/h5-6,8-11,17,21H,12-13H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization