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canSAR1021732
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NAMES
    SMILES
    COc1ccc(OC)c2c1C1C[C@H](N)C2O1
    InChI
    InChI=1S/C12H15NO3/c1-14-7-3-4-8(15-2)11-10(7)9-5-6(13)12(11)16-9/h3-4,6,9,12H,5,13H2,1-2H3/t6-,9?,12?/m0/s1
    MOLECULAR FORMULA
    C12H15NO3
    CROSS REFERENCES
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    canSAR1021732

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 221.11
    AlogP 1.55
    HBond donors 2
    HBond acceptors 4
    Atoms 31
    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 canSAR1021732.