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canSAR182817
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NAMES
    SMILES
    O=C(O)COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O
    InChI
    InChI=1S/C17H12O9/c18-8-4-11(21)14-12(5-8)26-16(7-1-2-9(19)10(20)3-7)17(15(14)24)25-6-13(22)23/h1-5,18-21H,6H2,(H,22,23)
    MOLECULAR FORMULA
    C17H12O9
    CROSS REFERENCES
    182817 logo

    canSAR182817

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 360.05
    AlogP 1.75
    HBond donors 5
    HBond acceptors 9
    Atoms 38
    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 canSAR182817.