Molecule ID: mol7797

SMILES: Cn1ncc(=O)c2ccccc21

InChI: InChI=1S/C9H8N2O/c1-11-8-5-3-2-4-7(8)9(12)6-10-11/h2-6H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.29 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization