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canSAR1243867
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NAMES
    SMILES
    CCC(O)C#CC1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21
    InChI
    InChI=1S/C14H11ClF3NO3/c1-2-9(20)5-6-13(14(16,17)18)10-7-8(15)3-4-11(10)19-12(21)22-13/h3-4,7,9,20H,2H2,1H3,(H,19,21)
    MOLECULAR FORMULA
    C14H11ClF3NO3
    CROSS REFERENCES
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    canSAR1243867

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 333.04
    AlogP 3.43
    HBond donors 2
    HBond acceptors 4
    Atoms 33
    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 canSAR1243867.