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canSAR546512
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NAMES
    SMILES
    CC(=O)Oc1ccc([N+](C)(C)Cc2ccccc2)cc1.[Br-]
    InChI
    InChI=1S/C17H20NO2.BrH/c1-14(19)20-17-11-9-16(10-12-17)18(2,3)13-15-7-5-4-6-8-15;/h4-12H,13H2,1-3H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C17H20BrNO2
    CROSS REFERENCES
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    canSAR546512

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.07
    AlogP 0.38
    HBond donors 0
    HBond acceptors 3
    Atoms 41
    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 canSAR546512.