Molecule ID: mol25586

SMILES: CCc1ccn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)n1

InChI: InChI=1S/C11H10N4O4/c1-2-8-5-6-13(12-8)9-3-4-10(14(16)17)11(7-9)15(18)19/h3-7H,2H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.43 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization