Molecule ID: mol36373

SMILES: O=C(O)c1cc([N+](=O)[O-])ccc1NC(=O)C(F)(F)F

InChI: InChI=1S/C9H5F3N2O5/c10-9(11,12)8(17)13-6-2-1-4(14(18)19)3-5(6)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
10.40 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization