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canSAR558263
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NAMES
    SMILES
    C=CCc1c2oc(C(=O)[O-])cc(=O)c2cc2c(=O)cc(C(=O)[O-])n(CC)c12.[Na+].[Na+]
    InChI
    InChI=1S/C19H15NO7.2Na/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11;;/h3,6-8H,1,4-5H2,2H3,(H,23,24)(H,25,26);;/q;2*+1/p-2
    MOLECULAR FORMULA
    C19H13NNa2O7
    CROSS REFERENCES
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    canSAR558263

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.05
    AlogP -6.41
    HBond donors 0
    HBond acceptors 8
    Atoms 42
    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 canSAR558263.