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canSAR791601
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NAMES
    SMILES
    CC1=C[C@H]2OC3[C@H](OC(=O)CCl)[C@@H](O)[C@@](C)(C34CO4)[C@@]2(CO)CC1
    InChI
    InChI=1S/C17H23ClO6/c1-9-3-4-16(7-19)10(5-9)23-14-12(24-11(20)6-18)13(21)15(16,2)17(14)8-22-17/h5,10,12-14,19,21H,3-4,6-8H2,1-2H3/t10-,12-,13-,14?,15-,16-,17?/m1/s1
    MOLECULAR FORMULA
    C17H23ClO6
    CROSS REFERENCES
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    canSAR791601

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 358.12
    AlogP 0.77
    HBond donors 2
    HBond acceptors 6
    Atoms 47
    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 canSAR791601.