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canSAR644647
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NAMES
    SMILES
    O=C1/C(=C/c2ccc(Cl)cc2)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21
    InChI
    InChI=1S/C18H10ClN2O3S2/c19-13-6-4-11(5-7-13)8-16-17(22)20-15(10-25-18(20)26-16)12-2-1-3-14(9-12)21(23)24/h1-10H/q+1/b16-8-
    MOLECULAR FORMULA
    C18H10ClN2O3S2+
    CROSS REFERENCES
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    canSAR644647

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.98
    AlogP 5.05
    HBond donors 0
    HBond acceptors 5
    Atoms 36
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR644647.