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canSAR1863063
FEATURES
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NAMES
    SMILES
    CCCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)O
    InChI
    InChI=1S/C16H20O6/c1-5-6-7-10(16(19)20)8-11-9(2)12(17)14(21-3)15(22-4)13(11)18/h8H,5-7H2,1-4H3,(H,19,20)
    MOLECULAR FORMULA
    C16H20O6
    CROSS REFERENCES
    1863063 logo

    canSAR1863063

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 308.13
    AlogP 2.16
    HBond donors 1
    HBond acceptors 6
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1863063.