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canSAR2089579
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NAMES
    SMILES
    O=C(N[C@@H]1CCCc2ccccc21)c1cccc(O)c1O
    InChI
    InChI=1S/C17H17NO3/c19-15-10-4-8-13(16(15)20)17(21)18-14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10,14,19-20H,3,6,9H2,(H,18,21)/t14-/m1/s1
    MOLECULAR FORMULA
    C17H17NO3
    CROSS REFERENCES
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    canSAR2089579

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 283.12
    AlogP 2.91
    HBond donors 3
    HBond acceptors 4
    Atoms 38
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2089579.