Molecule ID: mol16854

SMILES: Clc1ccc(Oc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)cc1

InChI: InChI=1S/C26H24ClN3O3/c27-19-3-5-20(6-4-19)33-21-7-8-22-23(10-13-30-24(22)15-21)29-12-1-11-28-16-18-2-9-25-26(14-18)32-17-31-25/h2-10,13-15,28H,1,11-12,16-17H2,(H,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization