Molecule ID: mol16922

SMILES: Fc1ccc(Cc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)c(Cl)c1

InChI: InChI=1S/C27H25ClFN3O2/c28-23-15-21(29)5-4-20(23)12-18-2-6-22-24(8-11-32-25(22)13-18)31-10-1-9-30-16-19-3-7-26-27(14-19)34-17-33-26/h2-8,11,13-15,30H,1,9-10,12,16-17H2,(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