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canSAR65538
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NAMES
    SMILES
    CCc1c(C(=O)OC)[n+]([O-])c2cc(C)c(C)cc2[n+]1[O-]
    InChI
    InChI=1S/C14H16N2O4/c1-5-10-13(14(17)20-4)16(19)12-7-9(3)8(2)6-11(12)15(10)18/h6-7H,5H2,1-4H3
    MOLECULAR FORMULA
    C14H16N2O4
    CROSS REFERENCES
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    canSAR65538

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 276.11
    AlogP 1.07
    HBond donors 0
    HBond acceptors 6
    Atoms 36
    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 canSAR65538.