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canSAR562747
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NAMES
    SMILES
    NS(=O)(=O)c1cc2ccc(OS(=O)(=O)[O-])cc2s1.[Na+]
    InChI
    InChI=1S/C8H7NO6S3.Na/c9-17(10,11)8-3-5-1-2-6(4-7(5)16-8)15-18(12,13)14;/h1-4H,(H2,9,10,11)(H,12,13,14);/q;+1/p-1
    MOLECULAR FORMULA
    C8H6NNaO6S3
    CROSS REFERENCES
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    canSAR562747

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 330.93
    AlogP -2.61
    HBond donors 2
    HBond acceptors 7
    Atoms 25
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR562747.