canSAR633680
FEATURES
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NAMES
    SMILES
    CC#CC1/C(=C\C(=O)OC)CCCC1O
    InChI
    InChI=1S/C12H16O3/c1-3-5-10-9(8-12(14)15-2)6-4-7-11(10)13/h8,10-11,13H,4,6-7H2,1-2H3/b9-8-
    MOLECULAR FORMULA
    C12H16O3
    CROSS REFERENCES
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    canSAR633680
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight208.11
    AlogP1.27
    HBond donors1
    HBond acceptors3
    Atoms31
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR633680.