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canSAR562758
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NAMES
    SMILES
    C[n+]1c2ccccc2c(Cl)c2[nH]c3cc(Br)ccc3c21
    InChI
    InChI=1S/C16H10BrClN2/c1-20-13-5-3-2-4-11(13)14(18)15-16(20)10-7-6-9(17)8-12(10)19-15/h2-8H,1H3/p+1
    MOLECULAR FORMULA
    C16H11BrClN2+
    CROSS REFERENCES
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    canSAR562758

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 344.98
    AlogP 4.71
    HBond donors 1
    HBond acceptors 2
    Atoms 31
    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 canSAR562758.