Molecule ID: mol17817

SMILES: O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3O)o2)S1

InChI: InChI=1S/C14H9NO4S/c16-10-4-2-1-3-9(10)11-6-5-8(19-11)7-12-13(17)15-14(18)20-12/h1-7,16H,(H,15,17,18)/b12-7-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization