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canSAR1202558
FEATURES
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NAMES
    SMILES
    CC(=O)C(=C/C=C/c1ccc(Br)cc1)C(C)=O
    InChI
    InChI=1S/C14H13BrO2/c1-10(16)14(11(2)17)5-3-4-12-6-8-13(15)9-7-12/h3-9H,1-2H3/b4-3+
    MOLECULAR FORMULA
    C14H13BrO2
    CROSS REFERENCES
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    canSAR1202558

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 292.01
    AlogP 3.57
    HBond donors 0
    HBond acceptors 2
    Atoms 30
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1202558.