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canSAR989616
FEATURES
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NAMES
    SMILES
    O=C1Nc2c(cccc2[N+](=O)[O-])C(=O)/C1=N/Nc1cccc(Cl)c1
    InChI
    InChI=1S/C15H9ClN4O4/c16-8-3-1-4-9(7-8)18-19-13-14(21)10-5-2-6-11(20(23)24)12(10)17-15(13)22/h1-7,18H,(H,17,22)/b19-13-
    MOLECULAR FORMULA
    C15H9ClN4O4
    CROSS REFERENCES
    989616 logo

    canSAR989616

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 344.03
    AlogP 2.85
    HBond donors 2
    HBond acceptors 8
    Atoms 33
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR989616.