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canSAR558483
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NAMES
    SMILES
    CC[N+]1(C)CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1
    InChI
    InChI=1S/C21H22Cl4NO2/c1-3-26(2)9-8-21(28,14-5-7-17(23)19(25)11-14)15(12-26)20(27)13-4-6-16(22)18(24)10-13/h4-7,10-11,15,28H,3,8-9,12H2,1-2H3/q+1/t15-,21+,26?/m0/s1
    MOLECULAR FORMULA
    C21H22Cl4NO2+
    CROSS REFERENCES
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    canSAR558483

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.04
    AlogP 5.86
    HBond donors 1
    HBond acceptors 3
    Atoms 50
    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 canSAR558483.