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canSAR565524
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NAMES
    SMILES
    COc1ccc(C[N+](C)(CCCl)CCCl)c([N+](=O)[O-])c1
    InChI
    InChI=1S/C13H19Cl2N2O3/c1-17(7-5-14,8-6-15)10-11-3-4-12(20-2)9-13(11)16(18)19/h3-4,9H,5-8,10H2,1-2H3/q+1
    MOLECULAR FORMULA
    C13H19Cl2N2O3+
    CROSS REFERENCES
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    canSAR565524

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 321.08
    AlogP 3.03
    HBond donors 0
    HBond acceptors 5
    Atoms 39
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR565524.