Molecule ID: mol3552

SMILES: CN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2cccc(Br)c2)cc1

InChI: InChI=1S/C23H25BrN2O/c1-25(2)21-12-8-17(9-13-21)23(27,19-6-5-7-20(24)16-19)18-10-14-22(15-11-18)26(3)4/h5-16,27H,1-4H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.23 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization