Molecule ID: mol18644

SMILES: Cc1cc(Oc2c(N)c(C)nn2-c2ccccc2)n(-c2ccccc2)n1

InChI: InChI=1S/C20H19N5O/c1-14-13-18(24(22-14)16-9-5-3-6-10-16)26-20-19(21)15(2)23-25(20)17-11-7-4-8-12-17/h3-13H,21H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization