Molecule ID: mol36377

SMILES: O=C(O)c1cc([N+](=O)[O-])ccc1SSc1ccc([N+](=O)[O-])cc1C(=O)O

InChI: InChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(15(21)22)1-3-11(9)25-26-12-4-2-8(16(23)24)6-10(12)14(19)20/h1-6H,(H,17,18)(H,19,20)

Experimental Macro pKa Values

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