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canSAR546002
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NAMES
    SMILES
    COc1cc(OC)c2c(C)[n+](-c3ccc(Br)cc3)c(C)cc2c1
    InChI
    InChI=1S/C19H19BrNO2/c1-12-9-14-10-17(22-3)11-18(23-4)19(14)13(2)21(12)16-7-5-15(20)6-8-16/h5-11H,1-4H3/q+1
    MOLECULAR FORMULA
    C19H19BrNO2+
    CROSS REFERENCES
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    canSAR546002

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 372.06
    AlogP 4.51
    HBond donors 0
    HBond acceptors 3
    Atoms 42
    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 canSAR546002.