Molecule ID: mol24843

SMILES: CC[N+](O)(CC)c1cccc([N+](=O)[O-])c1

InChI: InChI=1S/C10H15N2O3/c1-3-12(15,4-2)10-7-5-6-9(8-10)11(13)14/h5-8,15H,3-4H2,1-2H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization