Molecule ID: mol16682

SMILES: COc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1

InChI: InChI=1S/C26H32N4O/c1-31-25-14-9-22(10-15-25)26-16-13-24(28-29-26)6-5-17-27-23-11-7-21(8-12-23)20-30-18-3-2-4-19-30/h7-16,27H,2-6,17-20H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization