Molecule ID: mol25575

SMILES: Cc1cnn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c1

InChI: InChI=1S/C10H8N4O4/c1-7-5-11-12(6-7)8-2-3-9(13(15)16)10(4-8)14(17)18/h2-6H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.89 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization