Molecule ID: mol25585

SMILES: Cc1cnn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c1C

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization