canSAR2079728
FEATURES
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NAMES
    SMILES
    C/C=C/C(=O)C1=C(C)C=CCC1(C)C
    InChI
    InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+
    MOLECULAR FORMULA
    C13H18O
    CROSS REFERENCES
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    canSAR2079728
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight190.14
    AlogP3.43
    HBond donors0
    HBond acceptors1
    Atoms32
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079728.