Molecule ID: mol19641

SMILES: Cn1c(=O)c2c(nc3n(CCCN4CCN(c5ccccc5)CC4)ccn23)n(C)c1=O

InChI: InChI=1S/C22H27N7O2/c1-24-19-18(20(30)25(2)22(24)31)29-16-15-28(21(29)23-19)10-6-9-26-11-13-27(14-12-26)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization