Molecule ID: mol16908

SMILES: Cc1cc(C)cc(Cc2ccc3c(NCCCNCc4ccco4)ccnc3c2)c1

InChI: InChI=1S/C26H29N3O/c1-19-13-20(2)15-22(14-19)16-21-6-7-24-25(8-11-29-26(24)17-21)28-10-4-9-27-18-23-5-3-12-30-23/h3,5-8,11-15,17,27H,4,9-10,16,18H2,1-2H3,(H,28,29)

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