canSAR859333
FEATURES
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NAMES
    SMILES
    CSc1n(-c2ccccc2)cc(/C=N/O)[n+]1C.[I-]
    InChI
    InChI=1S/C12H13N3OS.HI/c1-14-11(8-13-16)9-15(12(14)17-2)10-6-4-3-5-7-10;/h3-9H,1-2H3;1H/b13-8+;
    MOLECULAR FORMULA
    C12H14IN3OS
    CROSS REFERENCES
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    canSAR859333
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight374.99
    AlogP-1.16
    HBond donors1
    HBond acceptors4
    Atoms32
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR859333.