Molecule ID: mol13365

SMILES: Nc1cccc(-c2cccc(N)n2)n1

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.70 OCHEM 1 » 0
6.70 QSARToolbox 1 » 0
6.70 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization