Molecule ID: mol25378

SMILES: COc1ncc([N+](=O)[O-])n1C

InChI: InChI=1S/C5H7N3O3/c1-7-4(8(9)10)3-6-5(7)11-2/h3H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.03 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization