Molecule ID: mol7671

SMILES: Cc1nnc(C)n1NCC(C)([N+](=O)[O-])[N+](=O)[O-]

InChI: InChI=1S/C7H12N6O4/c1-5-9-10-6(2)11(5)8-4-7(3,12(14)15)13(16)17/h8H,4H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization