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canSAR1266253
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NAMES
    SMILES
    COC(=O)c1c(C)nc(CO)c(C(=O)O)c1-c1ccccc1[N+](=O)[O-]
    InChI
    InChI=1S/C16H14N2O7/c1-8-12(16(22)25-2)13(14(15(20)21)10(7-19)17-8)9-5-3-4-6-11(9)18(23)24/h3-6,19H,7H2,1-2H3,(H,20,21)
    MOLECULAR FORMULA
    C16H14N2O7
    CROSS REFERENCES
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    canSAR1266253

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 346.08
    AlogP 1.94
    HBond donors 2
    HBond acceptors 9
    Atoms 39
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1266253.