Molecule ID: mol2939

SMILES: Clc1ccc(-c2ccc(-c3ccnc(N4CCNCC4)n3)s2)cc1

InChI: InChI=1S/C18H17ClN4S/c19-14-3-1-13(2-4-14)16-5-6-17(24-16)15-7-8-21-18(22-15)23-11-9-20-10-12-23/h1-8,20H,9-12H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.90 Novartis 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization