Molecule ID: mol13157

SMILES: Cn1ncc2ccccc21

InChI: InChI=1S/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-6H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.30 AttenGpKa training set 1 » 0
0.51 OCHEM 1 » 0
0.51 QSARToolbox 1 » 0
0.51 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization