Molecule ID: mol23986

SMILES: N#CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

InChI: InChI=1S/C9H8N4O4/c10-5-2-6-11-9-7(12(14)15)3-1-4-8(9)13(16)17/h1,3-4,11H,2,6H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.67 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization