Molecule ID: mol6007

SMILES: O=C(O)CNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

InChI: InChI=1S/C8H6N4O8/c13-7(14)3-9-8-5(11(17)18)1-4(10(15)16)2-6(8)12(19)20/h1-2,9H,3H2,(H,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-9.27 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization