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canSAR1717744
FEATURES
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NAMES
    SMILES
    C=C(C(C)=O)C(O)c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C11H11NO4/c1-7(8(2)13)11(14)9-3-5-10(6-4-9)12(15)16/h3-6,11,14H,1H2,2H3
    MOLECULAR FORMULA
    C11H11NO4
    CROSS REFERENCES
    1717744 logo

    canSAR1717744

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 221.07
    AlogP 1.77
    HBond donors 1
    HBond acceptors 5
    Atoms 27
    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 canSAR1717744.