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canSAR1767517
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NAMES
    SMILES
    CN(C)c1ccc(/C=C/C(=O)[O-])cc1.[Na+]
    InChI
    InChI=1S/C11H13NO2.Na/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14;/h3-8H,1-2H3,(H,13,14);/q;+1/p-1/b8-5+;
    MOLECULAR FORMULA
    C11H12NNaO2
    CROSS REFERENCES
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    canSAR1767517

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 213.08
    AlogP -2.48
    HBond donors 0
    HBond acceptors 3
    Atoms 27
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1767517.