Molecule ID: mol7505

SMILES: Cc1ncc([N+](=O)[O-])cn1

InChI: InChI=1S/C5H5N3O2/c1-4-6-2-5(3-7-4)8(9)10/h2-3H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.49 OCHEM 1 » 0
1.49 AttenGpKa training set 1 » 0
1.49 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization