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canSAR563313
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NAMES
    SMILES
    COc1c(C(C)(C)C)cc(Cl)c(O)c1CN.Cl
    InChI
    InChI=1S/C12H18ClNO2.ClH/c1-12(2,3)8-5-9(13)10(15)7(6-14)11(8)16-4;/h5,15H,6,14H2,1-4H3;1H
    MOLECULAR FORMULA
    C12H19Cl2NO2
    CROSS REFERENCES
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    canSAR563313

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 279.08
    AlogP 3.23
    HBond donors 3
    HBond acceptors 3
    Atoms 36
    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 canSAR563313.