Molecule ID: mol1132

SMILES: c1ccc(CCCNC(Cc2ccccc2)Cc2ccccc2)cc1

InChI: InChI=1S/C24H27N/c1-4-11-21(12-5-1)17-10-18-25-24(19-22-13-6-2-7-14-22)20-23-15-8-3-9-16-23/h1-9,11-16,24-25H,10,17-20H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization