Molecule ID: mol681

SMILES: COC(=O)c1ccc(I)cc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1

InChI: InChI=1S/C14H14IN5O6S/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2/h4-6H,1-3H3,(H2,16,17,18,19,20,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.22 Hunt 0 » -1
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Charge States and Microspecies Visualization