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canSAR114613
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NAMES
    SMILES
    CC(C)c1ccc(C(Cc2cc(I)c(O)c(I)c2)C(=O)O)cc1
    InChI
    InChI=1S/C18H18I2O3/c1-10(2)12-3-5-13(6-4-12)14(18(22)23)7-11-8-15(19)17(21)16(20)9-11/h3-6,8-10,14,21H,7H2,1-2H3,(H,22,23)
    MOLECULAR FORMULA
    C18H18I2O3
    CROSS REFERENCES
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    canSAR114613

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 535.93
    AlogP 5.14
    HBond donors 2
    HBond acceptors 3
    Atoms 41
    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 canSAR114613.