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canSAR840462
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NAMES
    SMILES
    CC1=CC(C)(C)[C@@]2(O)CO[C@@H](c3ccc(O)cc3Cl)[C@@H]1C2
    InChI
    InChI=1S/C17H21ClO3/c1-10-7-16(2,3)17(20)8-13(10)15(21-9-17)12-5-4-11(19)6-14(12)18/h4-7,13,15,19-20H,8-9H2,1-3H3/t13-,15+,17+/m1/s1
    MOLECULAR FORMULA
    C17H21ClO3
    CROSS REFERENCES
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    canSAR840462

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 308.12
    AlogP 3.84
    HBond donors 2
    HBond acceptors 3
    Atoms 42
    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 canSAR840462.