Molecule ID: mol26513

SMILES: CC(O)c1nc2cc([N+](=O)[O-])ccc2[nH]1

InChI: InChI=1S/C9H9N3O3/c1-5(13)9-10-7-3-2-6(12(14)15)4-8(7)11-9/h2-5,13H,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization