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canSAR1066515
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NAMES
    SMILES
    OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2
    InChI
    InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
    MOLECULAR FORMULA
    C19H19NO3
    CROSS REFERENCES
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    canSAR1066515

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 309.14
    AlogP 1.68
    HBond donors 1
    HBond acceptors 4
    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 canSAR1066515.