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canSAR1494970
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NAMES
    SMILES
    O=C(/C=C/c1ccc[n+](Cc2cccc(Cl)c2Cl)c1)c1cc2cc(Br)ccc2o1.[Cl-]
    InChI
    InChI=1S/C23H15BrCl2NO2.ClH/c24-18-7-9-21-17(11-18)12-22(29-21)20(28)8-6-15-3-2-10-27(13-15)14-16-4-1-5-19(25)23(16)26;/h1-13H,14H2;1H/q+1;/p-1/b8-6+;
    MOLECULAR FORMULA
    C23H15BrCl3NO2
    CROSS REFERENCES
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    canSAR1494970

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.94
    AlogP 3.74
    HBond donors 0
    HBond acceptors 3
    Atoms 45
    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 canSAR1494970.