canSAR1932016
FEATURES
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NAMES
    SMILES
    O=C(N/N=C/c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C12H8BrN3O3S/c13-11-6-5-10(20-11)7-14-15-12(17)8-1-3-9(4-2-8)16(18)19/h1-7H,(H,15,17)/b14-7+
    MOLECULAR FORMULA
    C12H8BrN3O3S
    CROSS REFERENCES
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    canSAR1932016
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight352.95
    AlogP3.18
    HBond donors1
    HBond acceptors6
    Atoms28
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1932016.