Molecule ID: mol20297

SMILES: Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)nc1

InChI: InChI=1S/C20H23N7O2/c1-14-9-24-18(22-8-7-15-5-3-2-4-6-15)19(29)27(14)13-17(28)23-10-16-11-25-20(21)26-12-16/h2-6,9,11-12H,7-8,10,13H2,1H3,(H,22,24)(H,23,28)(H2,21,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization