Molecule ID: mol24144

SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCCO)c([N+](=O)[O-])c1

InChI: InChI=1S/C9H10N4O7/c14-3-1-2-10-9-7(12(17)18)4-6(11(15)16)5-8(9)13(19)20/h4-5,10,14H,1-3H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-6.52 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization