Molecule ID: mol26022

SMILES: COc1ccc(-n2nnnc2-c2ccccc2)cc1

InChI: InChI=1S/C14H12N4O/c1-19-13-9-7-12(8-10-13)18-14(15-16-17-18)11-5-3-2-4-6-11/h2-10H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.20 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization