Molecule ID: mol19835

SMILES: CCC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1

InChI: InChI=1S/C18H20N6O2/c1-5-17(25)21-16-8-15(13-7-14(26-4)10-19-9-13)20-18(22-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization