Molecule ID: mol16920

SMILES: N#Cc1ccc(Cc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)cc1

InChI: InChI=1S/C28H26N4O2/c29-17-21-4-2-20(3-5-21)14-22-6-8-24-25(10-13-32-26(24)15-22)31-12-1-11-30-18-23-7-9-27-28(16-23)34-19-33-27/h2-10,13,15-16,30H,1,11-12,14,18-19H2,(H,31,32)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization