Molecule ID: mol36603

SMILES: COC(=O)N(NC(=O)Oc1ccccc1)C([N+](=O)[O-])[N+](=O)[O-]

InChI: InChI=1S/C10H10N4O8/c1-21-10(16)12(9(13(17)18)14(19)20)11-8(15)22-7-5-3-2-4-6-7/h2-6,9H,1H3,(H,11,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.73 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization