Molecule ID: mol31413

SMILES: O=c1c2ccccc2ncn1O

InChI: InChI=1S/C8H6N2O2/c11-8-6-3-1-2-4-7(6)9-5-10(8)12/h1-5,12H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization