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canSAR558880
FEATURES
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NAMES
    SMILES
    C[S+](C)CCC(=O)/C=C/c1ccccc1
    InChI
    InChI=1S/C13H17OS/c1-15(2)11-10-13(14)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3/q+1/b9-8+
    MOLECULAR FORMULA
    C13H17OS+
    CROSS REFERENCES
    558880 logo

    canSAR558880

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 221.10
    AlogP 2.54
    HBond donors 0
    HBond acceptors 1
    Atoms 32
    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 canSAR558880.