Molecule ID: mol9465

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

InChI: InChI=1S/C5H12N3O4/c1-8(2,3)4-5(6(9)10)7(11)12/h5H,4H2,1-3H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.87 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization