Molecule ID: mol36003

SMILES: O=C(O)CC(C(=O)O)N(CCN(C(=S)S)C(CC(=O)O)C(=O)O)C(=S)S

InChI: InChI=1S/C12H16N2O8S4/c15-7(16)3-5(9(19)20)13(11(23)24)1-2-14(12(25)26)6(10(21)22)4-8(17)18/h5-6H,1-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)

Experimental Macro pKa Values

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