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canSAR1268143
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NAMES
    SMILES
    C#CCCOC(=O)c1cc(C(=O)c2ccc(Br)cc2)n2ccc(C)cc12
    InChI
    InChI=1S/C21H16BrNO3/c1-3-4-11-26-21(25)17-13-19(23-10-9-14(2)12-18(17)23)20(24)15-5-7-16(22)8-6-15/h1,5-10,12-13H,4,11H2,2H3
    MOLECULAR FORMULA
    C21H16BrNO3
    CROSS REFERENCES
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    canSAR1268143

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.03
    AlogP 4.42
    HBond donors 0
    HBond acceptors 4
    Atoms 42
    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 canSAR1268143.