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canSAR782635
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NAMES
    SMILES
    COC(=O)C1=CCC[C@@H]2CC(C(C)=O)=C[C@H]12
    InChI
    InChI=1S/C13H16O3/c1-8(14)10-6-9-4-3-5-11(12(9)7-10)13(15)16-2/h5,7,9,12H,3-4,6H2,1-2H3/t9-,12+/m1/s1
    MOLECULAR FORMULA
    C13H16O3
    CROSS REFERENCES
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    canSAR782635

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 220.11
    AlogP 2.03
    HBond donors 0
    HBond acceptors 3
    Atoms 32
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR782635.