Molecule ID: mol6939

SMILES: Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C

InChI: InChI=1S/C12H12N4O4/c1-7-8(2)13-14(9(7)3)11-5-4-10(15(17)18)6-12(11)16(19)20/h4-6H,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.70 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization