Molecule ID: mol16686

SMILES: COc1ccc(-c2ccc(CCCNc3ccc(CN4CCC(NC(C)=O)CC4)cc3)nn2)cc1

InChI: InChI=1S/C28H35N5O2/c1-21(34)30-25-15-18-33(19-16-25)20-22-5-9-24(10-6-22)29-17-3-4-26-11-14-28(32-31-26)23-7-12-27(35-2)13-8-23/h5-14,25,29H,3-4,15-20H2,1-2H3,(H,30,34)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization