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canSAR829410
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NAMES
    SMILES
    CCCO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2cc(Cl)c(C(C)C)c(Cl)c21
    InChI
    InChI=1S/C23H31Cl2NO3/c1-6-10-29-26-16-12-17-22(4,8-7-9-23(17,5)21(27)28)14-11-15(24)18(13(2)3)20(25)19(14)16/h11,13,17H,6-10,12H2,1-5H3,(H,27,28)/b26-16+/t17-,22-,23-/m1/s1
    MOLECULAR FORMULA
    C23H31Cl2NO3
    CROSS REFERENCES
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    canSAR829410

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.17
    AlogP 6.80
    HBond donors 1
    HBond acceptors 4
    Atoms 60
    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 canSAR829410.