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canSAR112404
FEATURES
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NAMES
    SMILES
    O=C1C2=C(OCCC2)C(=O)c2ccccc21
    InChI
    InChI=1S/C13H10O3/c14-11-8-4-1-2-5-9(8)12(15)13-10(11)6-3-7-16-13/h1-2,4-5H,3,6-7H2
    MOLECULAR FORMULA
    C13H10O3
    CROSS REFERENCES
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    canSAR112404

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 214.06
    AlogP 2.13
    HBond donors 0
    HBond acceptors 3
    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 canSAR112404.