Molecule ID: mol17811

SMILES: O=C1NC(=O)/C(=C/c2ccc(-c3cc(OC(F)(F)F)ccc3O)o2)S1

InChI: InChI=1S/C15H8F3NO5S/c16-15(17,18)24-8-1-3-10(20)9(5-8)11-4-2-7(23-11)6-12-13(21)19-14(22)25-12/h1-6,20H,(H,19,21,22)/b12-6-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.70 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization