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canSAR2000870
FEATURES
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NAMES
    SMILES
    C=CCOn1c(=O)c(-c2ccc(Br)cc2)[n+]([O-])c2ccccc21
    InChI
    InChI=1S/C17H13BrN2O3/c1-2-11-23-20-15-6-4-3-5-14(15)19(22)16(17(20)21)12-7-9-13(18)10-8-12/h2-10H,1,11H2
    MOLECULAR FORMULA
    C17H13BrN2O3
    CROSS REFERENCES
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    canSAR2000870

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 372.01
    AlogP 2.68
    HBond donors 0
    HBond acceptors 5
    Atoms 36
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2000870.