Molecule ID: mol36372

SMILES: O=C(O)c1cc(NC(=O)C(F)(F)F)ccc1[N+](=O)[O-]

InChI: InChI=1S/C9H5F3N2O5/c10-9(11,12)8(17)13-4-1-2-6(14(18)19)5(3-4)7(15)16/h1-3H,(H,13,17)(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization