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canSAR1615680
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NAMES
    SMILES
    O=C(Cn1cc(COc2ccc(Br)cc2[N+](=O)[O-])nn1)c1ccc(O)cc1
    InChI
    InChI=1S/C17H13BrN4O5/c18-12-3-6-17(15(7-12)22(25)26)27-10-13-8-21(20-19-13)9-16(24)11-1-4-14(23)5-2-11/h1-8,23H,9-10H2
    MOLECULAR FORMULA
    C17H13BrN4O5
    CROSS REFERENCES
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    canSAR1615680

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.01
    AlogP 3.12
    HBond donors 1
    HBond acceptors 9
    Atoms 40
    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 canSAR1615680.