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canSAR991317
FEATURES
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NAMES
    SMILES
    O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3ccccc3[N+](=O)[O-])c12
    InChI
    InChI=1S/C20H13NO8/c22-11-5-17(28-9-10-3-1-2-4-13(10)21(26)27)19-18(6-11)29-16-8-15(24)14(23)7-12(16)20(19)25/h1-8,22-24H,9H2
    MOLECULAR FORMULA
    C20H13NO8
    CROSS REFERENCES
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    canSAR991317

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.06
    AlogP 3.55
    HBond donors 3
    HBond acceptors 9
    Atoms 42
    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 canSAR991317.