Molecule ID: mol16863

SMILES: COc1ccc(Oc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)cc1

InChI: InChI=1S/C27H27N3O4/c1-31-20-4-6-21(7-5-20)34-22-8-9-23-24(11-14-30-25(23)16-22)29-13-2-12-28-17-19-3-10-26-27(15-19)33-18-32-26/h3-11,14-16,28H,2,12-13,17-18H2,1H3,(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