Molecule ID: mol19611

SMILES: N#Cc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1

InChI: InChI=1S/C18H21N5O2S/c19-13-15-1-3-16(4-2-15)25-11-10-22-6-8-23(9-7-22)14-17(24)21-18-20-5-12-26-18/h1-5,12H,6-11,14H2,(H,20,21,24)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.37 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization