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canSAR1965645
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NAMES
    SMILES
    CC1C(=O)C(C)C(c2cc(Br)ccc2O)NC1c1cc(Br)ccc1O
    InChI
    InChI=1S/C19H19Br2NO3/c1-9-17(13-7-11(20)3-5-15(13)23)22-18(10(2)19(9)25)14-8-12(21)4-6-16(14)24/h3-10,17-18,22-24H,1-2H3
    MOLECULAR FORMULA
    C19H19Br2NO3
    CROSS REFERENCES
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    canSAR1965645

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.97
    AlogP 4.85
    HBond donors 3
    HBond acceptors 4
    Atoms 44
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1965645.