Molecule ID: mol6995

SMILES: Nc1ccc(-c2cnc(N)nc2)cc1

InChI: InChI=1S/C10H10N4/c11-9-3-1-7(2-4-9)8-5-13-10(12)14-6-8/h1-6H,11H2,(H2,12,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.63 IUPAC digitized pKa 2 » 1
4.21 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization