Molecule ID: mol9616

SMILES: O=c1cccc2[nH]onc1-2

InChI: InChI=1S/C6H4N2O2/c9-5-3-1-2-4-6(5)8-10-7-4/h1-3,7H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization