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canSAR834810
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NAMES
    SMILES
    COc1cc(C=O)cc(I)c1OS(=O)(=O)c1ccc2ccccc2c1
    InChI
    InChI=1S/C18H13IO5S/c1-23-17-9-12(11-20)8-16(19)18(17)24-25(21,22)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,1H3
    MOLECULAR FORMULA
    C18H13IO5S
    CROSS REFERENCES
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    canSAR834810

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.95
    AlogP 4.03
    HBond donors 0
    HBond acceptors 5
    Atoms 38
    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 canSAR834810.