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canSAR176897
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NAMES
    SMILES
    CC(C)OC(=O)Cc1c(C(=O)O)[nH]c2cc(Cl)ccc12
    InChI
    InChI=1S/C14H14ClNO4/c1-7(2)20-12(17)6-10-9-4-3-8(15)5-11(9)16-13(10)14(18)19/h3-5,7,16H,6H2,1-2H3,(H,18,19)
    MOLECULAR FORMULA
    C14H14ClNO4
    CROSS REFERENCES
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    canSAR176897

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 295.06
    AlogP 3.01
    HBond donors 2
    HBond acceptors 5
    Atoms 34
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR176897.