canSAR382947
FEATURES
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NAMES
    SMILES
    O=[N+]([O-])c1ccccc1/C=C(\c1nc2ccccc2s1)C(P(=O)(O)O)P(=O)(O)O
    InChI
    InChI=1S/C16H14N2O8P2S/c19-18(20)13-7-3-1-5-10(13)9-11(16(27(21,22)23)28(24,25)26)15-17-12-6-2-4-8-14(12)29-15/h1-9,16H,(H2,21,22,23)(H2,24,25,26)/b11-9+
    MOLECULAR FORMULA
    C16H14N2O8P2S
    CROSS REFERENCES
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    canSAR382947
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight455.99
    AlogP3.43
    HBond donors4
    HBond acceptors10
    Atoms43
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR382947.