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canSAR498326
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NAMES
    SMILES
    COc1c(O)ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1[N+](=O)[O-]
    InChI
    InChI=1S/C17H12ClN3O5/c1-26-16-14(22)6-5-10(15(16)21(24)25)7-11(9-19)17(23)20-13-4-2-3-12(18)8-13/h2-8,22H,1H3,(H,20,23)/b11-7+
    MOLECULAR FORMULA
    C17H12ClN3O5
    CROSS REFERENCES
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    canSAR498326

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 373.05
    AlogP 3.51
    HBond donors 2
    HBond acceptors 8
    Atoms 38
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR498326.