Molecule ID: mol25306

SMILES: Cn1ccc([N+](=O)[O-])n1

InChI: InChI=1S/C4H5N3O2/c1-6-3-2-4(5-6)7(8)9/h2-3H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.58 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization