Molecule ID: mol20230

SMILES: O=C(O)c1cccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=S)c1

InChI: InChI=1S/C19H12N2O4S/c22-17(23)12-5-3-6-13(8-12)21-10-15(20-19(21)26)14-9-11-4-1-2-7-16(11)25-18(14)24/h1-10H,(H,20,26)(H,22,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.91 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization