Molecule ID: mol25341

SMILES: CCn1cc([N+](=O)[O-])cn1

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.13 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization