Molecule ID: mol16821

SMILES: Cc1cccc(NC(=O)c2nc(C)cc3c(-c4ccccn4)c[nH]c23)n1

InChI: InChI=1S/C20H17N5O/c1-12-6-5-8-17(23-12)25-20(26)19-18-14(10-13(2)24-19)15(11-22-18)16-7-3-4-9-21-16/h3-11,22H,1-2H3,(H,23,25,26)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.50 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization