Molecule ID: mol3499

SMILES: c1ccc(CCC(NCc2ccccc2)c2ccccc2)cc1

InChI: InChI=1S/C22H23N/c1-4-10-19(11-5-1)16-17-22(21-14-8-3-9-15-21)23-18-20-12-6-2-7-13-20/h1-15,22-23H,16-18H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.80 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization