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canSAR1971679
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NAMES
    SMILES
    CC1=C(C(=O)OC(C)(C)C)C(c2ccco2)C(C#N)=C(N)O1
    InChI
    InChI=1S/C16H18N2O4/c1-9-12(15(19)22-16(2,3)4)13(11-6-5-7-20-11)10(8-17)14(18)21-9/h5-7,13H,18H2,1-4H3
    MOLECULAR FORMULA
    C16H18N2O4
    CROSS REFERENCES
    1971679 logo

    canSAR1971679

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 302.13
    AlogP 2.70
    HBond donors 2
    HBond acceptors 6
    Atoms 40
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1971679.