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canSAR546660
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NAMES
    SMILES
    Br.Cc1c(C)c(Cl)c(Cl)c(CN)c1O
    InChI
    InChI=1S/C9H11Cl2NO.BrH/c1-4-5(2)9(13)6(3-12)8(11)7(4)10;/h13H,3,12H2,1-2H3;1H
    MOLECULAR FORMULA
    C9H12BrCl2NO
    CROSS REFERENCES
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    canSAR546660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 298.95
    AlogP 3.35
    HBond donors 3
    HBond acceptors 2
    Atoms 26
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR546660.