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canSAR502070
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NAMES
    SMILES
    COc1ccc(Br)c(CS(=O)(=O)c2cccc[n+]2[O-])c1
    InChI
    InChI=1S/C13H12BrNO4S/c1-19-11-5-6-12(14)10(8-11)9-20(17,18)13-4-2-3-7-15(13)16/h2-8H,9H2,1H3
    MOLECULAR FORMULA
    C13H12BrNO4S
    CROSS REFERENCES
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    canSAR502070

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 356.97
    AlogP 2.06
    HBond donors 0
    HBond acceptors 5
    Atoms 32
    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 canSAR502070.