Molecule ID: mol16842

SMILES: COc1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1

InChI: InChI=1S/C24H25N3O3/c1-28-18-5-7-19(8-6-18)30-20-9-10-22-23(11-14-27-24(22)16-20)26-13-3-12-25-17-21-4-2-15-29-21/h2,4-11,14-16,25H,3,12-13,17H2,1H3,(H,26,27)

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