Molecule ID: mol15616

SMILES: COc1ccc(C(O)CNC(C)CC2=C(C)C(C)(C)CC2)cc1

InChI: InChI=1S/C20H31NO2/c1-14(12-17-10-11-20(3,4)15(17)2)21-13-19(22)16-6-8-18(23-5)9-7-16/h6-9,14,19,21-22H,10-13H2,1-5H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.79 Datawarrior 1 » 0
8.79 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization