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canSAR548927
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NAMES
    SMILES
    CC(C)(C)c1cc(CN)c(O)c(C(F)(F)F)c1.Cl
    InChI
    InChI=1S/C12H16F3NO.ClH/c1-11(2,3)8-4-7(6-16)10(17)9(5-8)12(13,14)15;/h4-5,17H,6,16H2,1-3H3;1H
    MOLECULAR FORMULA
    C12H17ClF3NO
    CROSS REFERENCES
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    canSAR548927

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 283.10
    AlogP 3.59
    HBond donors 3
    HBond acceptors 2
    Atoms 35
    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 canSAR548927.