Molecule ID: mol21203

SMILES: O=C(O)c1nc(-c2nccs2)nc(O)c1O

InChI: InChI=1S/C8H5N3O4S/c12-4-3(8(14)15)10-5(11-6(4)13)7-9-1-2-16-7/h1-2,12H,(H,14,15)(H,10,11,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization