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canSAR466234
FEATURES
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NAMES
    SMILES
    CC#CC/C=C\C=C\SCCCC(=O)OC
    InChI
    InChI=1S/C13H18O2S/c1-3-4-5-6-7-8-11-16-12-9-10-13(14)15-2/h6-8,11H,5,9-10,12H2,1-2H3/b7-6-,11-8+
    MOLECULAR FORMULA
    C13H18O2S
    CROSS REFERENCES
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    canSAR466234

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 238.10
    AlogP 3.16
    HBond donors 0
    HBond acceptors 2
    Atoms 34
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR466234.