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canSAR393767
FEATURES
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NAMES
    SMILES
    CC(=O)/C=C/[C@H]1C(C)=CC(=O)CC1(C)C
    InChI
    InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,12H,8H2,1-4H3/b6-5+/t12-/m0/s1
    MOLECULAR FORMULA
    C13H18O2
    CROSS REFERENCES
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    canSAR393767

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 206.13
    AlogP 2.69
    HBond donors 0
    HBond acceptors 2
    Atoms 33
    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 canSAR393767.