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canSAR93351
FEATURES
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NAMES
    SMILES
    CCCCCC1C(=O)C(Br)=CC1CC(=O)OC
    InChI
    InChI=1S/C13H19BrO3/c1-3-4-5-6-10-9(8-12(15)17-2)7-11(14)13(10)16/h7,9-10H,3-6,8H2,1-2H3
    MOLECULAR FORMULA
    C13H19BrO3
    CROSS REFERENCES
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    canSAR93351

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 302.05
    AlogP 3.22
    HBond donors 0
    HBond acceptors 3
    Atoms 36
    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 canSAR93351.