Molecule ID: mol35216

SMILES: C[n+]1cc([O-])ccn1

InChI: InChI=1S/C5H6N2O/c1-7-4-5(8)2-3-6-7/h2-4H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.74 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization