Molecule ID: mol4595

SMILES: Cc1nncc2ccccc12

InChI: InChI=1S/C9H8N2/c1-7-9-5-3-2-4-8(9)6-10-11-7/h2-6H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization