Molecule ID: mol6917

SMILES: Cc1c[nH]nc1-c1ccccc1

InChI: InChI=1S/C10H10N2/c1-8-7-11-12-10(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization