Molecule ID: mol6027

SMILES: CCN(CC)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

InChI: InChI=1S/C10H12N4O6/c1-3-11(4-2)10-8(13(17)18)5-7(12(15)16)6-9(10)14(19)20/h5-6H,3-4H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-5.71 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization