Molecule ID: mol29394

SMILES: O=C(O)C1CSC(c2ccc(C3NC(C(=O)O)CS3)cc2)N1

InChI: InChI=1S/C14H16N2O4S2/c17-13(18)9-5-21-11(15-9)7-1-2-8(4-3-7)12-16-10(6-22-12)14(19)20/h1-4,9-12,15-16H,5-6H2,(H,17,18)(H,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization