Molecule ID: mol27235

SMILES: N#CNC(=O)c1cccc([N+](=O)[O-])c1

InChI: InChI=1S/C8H5N3O3/c9-5-10-8(12)6-2-1-3-7(4-6)11(13)14/h1-4H,(H,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization