Molecule ID: mol25610

SMILES: CC(C)(C)c1ccn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)n1

InChI: InChI=1S/C13H14N4O4/c1-13(2,3)12-6-7-15(14-12)9-4-5-10(16(18)19)11(8-9)17(20)21/h4-8H,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.59 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization