Molecule ID: mol21202

SMILES: O=C(O)c1nc(-c2sccc2[N+](=O)[O-])nc(O)c1O

InChI: InChI=1S/C9H5N3O6S/c13-5-4(9(15)16)10-7(11-8(5)14)6-3(12(17)18)1-2-19-6/h1-2,13H,(H,15,16)(H,10,11,14)

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