canSAR1846796
FEATURES
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NAMES
    SMILES
    Cc1ccc(C#N)c(SCc2ccccc2[N+](=O)[O-])n1
    InChI
    InChI=1S/C14H11N3O2S/c1-10-6-7-11(8-15)14(16-10)20-9-12-4-2-3-5-13(12)17(18)19/h2-7H,9H2,1H3
    MOLECULAR FORMULA
    C14H11N3O2S
    CROSS REFERENCES
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    canSAR1846796
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight285.06
    AlogP3.46
    HBond donors0
    HBond acceptors5
    Atoms31
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846796.