Molecule ID: mol21401

SMILES: O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1CC1CC1

InChI: InChI=1S/C25H30N4O2/c30-24-18-28(25(31)29(24)16-20-7-8-20)15-19-9-11-21(12-10-19)23-6-4-5-22(26-23)17-27-13-2-1-3-14-27/h4-6,9-12,20H,1-3,7-8,13-18H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization