canSAR63021
FEATURES
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NAMES
    SMILES
    CC(C)C(=O)c1cc(C(=O)O)c(O)nc1C(C)C
    InChI
    InChI=1S/C13H17NO4/c1-6(2)10-8(11(15)7(3)4)5-9(13(17)18)12(16)14-10/h5-7H,1-4H3,(H,14,16)(H,17,18)
    MOLECULAR FORMULA
    C13H17NO4
    CROSS REFERENCES
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    canSAR63021
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight251.12
    AlogP2.45
    HBond donors2
    HBond acceptors5
    Atoms35
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR63021.