Molecule ID: mol24099

SMILES: N#CCCNc1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-]

InChI: InChI=1S/C9H7ClN4O4/c10-6-4-7(13(15)16)9(12-3-1-2-11)8(5-6)14(17)18/h4-5,12H,1,3H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.39 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization