Molecule ID: mol7805

SMILES: Cc1ccc2cc[nH]c2n1

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.13 IUPAC digitized pKa 1 » 0
5.18 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization