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canSAR1984697
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NAMES
    SMILES
    CN(C)N=C/C=C1\CC/C(=C\c2ccc(Br)cc2)C1=O
    InChI
    InChI=1S/C16H17BrN2O/c1-19(2)18-10-9-13-5-6-14(16(13)20)11-12-3-7-15(17)8-4-12/h3-4,7-11H,5-6H2,1-2H3/b13-9+,14-11+,18-10?
    MOLECULAR FORMULA
    C16H17BrN2O
    CROSS REFERENCES
    1984697 logo

    canSAR1984697

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 332.05
    AlogP 3.67
    HBond donors 0
    HBond acceptors 3
    Atoms 37
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1984697.