Molecule ID: mol17815

SMILES: COC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)NC3=O)o2)c(O)c1

InChI: InChI=1S/C16H11NO6S/c1-22-15(20)8-2-4-10(11(18)6-8)12-5-3-9(23-12)7-13-14(19)17-16(21)24-13/h2-7,18H,1H3,(H,17,19,21)/b13-7-

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