Molecule ID: mol9780

SMILES: NC(=O)CCC(CC([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI: InChI=1S/C6H9N5O9/c7-4(12)1-2-6(10(17)18,11(19)20)3-5(8(13)14)9(15)16/h5H,1-3H2,(H2,7,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization