Molecule ID: mol20023

SMILES: CCCCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1

InChI: InChI=1S/C28H30ClN3O/c1-2-3-4-7-19-33-23-15-13-21(14-16-23)26-17-18-27(24-10-5-6-11-25(24)29)32(26)20-22-9-8-12-28(30)31-22/h5-6,8-18H,2-4,7,19-20H2,1H3,(H2,30,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization