Molecule ID: mol13644

SMILES: O=C(O)c1cnc(Br)s1

InChI: InChI=1S/C4H2BrNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.96 Datawarrior 0 » -1
2.96 OCHEM 0 » -1
2.96 AttenGpKa training set 0 » -1
2.96 QSARToolbox 0 » -1
2.96 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization