Molecule ID: mol17816

SMILES: O=C1NC(=O)/C(=C/c2ccc(-c3ccc(O)cc3O)o2)S1

InChI: InChI=1S/C14H9NO5S/c16-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)15-14(19)21-12/h1-6,16-17H,(H,15,18,19)/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