Molecule ID: mol7411

SMILES: CNc1ncnc(N(C)C)c1[N+](=O)[O-]

InChI: InChI=1S/C7H11N5O2/c1-8-6-5(12(13)14)7(11(2)3)10-4-9-6/h4H,1-3H3,(H,8,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.85 IUPAC digitized pKa 1 » 0
2.90 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization