Molecule ID: mol25343

SMILES: CCn1ccc([N+](=O)[O-])n1

InChI: InChI=1S/C5H7N3O2/c1-2-7-4-3-5(6-7)8(9)10/h3-4H,2H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.71 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization