canSAR940909
FEATURES
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NAMES
    SMILES
    COc1cc2oc(C)c(CCC(=O)[O-])c2cc1OS(=O)(=O)O.[Na+]
    InChI
    InChI=1S/C13H14O8S.Na/c1-7-8(3-4-13(14)15)9-5-12(21-22(16,17)18)11(19-2)6-10(9)20-7;/h5-6H,3-4H2,1-2H3,(H,14,15)(H,16,17,18);/q;+1/p-1
    MOLECULAR FORMULA
    C13H13NaO8S
    CROSS REFERENCES
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    canSAR940909
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight352.02
    AlogP-2.38
    HBond donors1
    HBond acceptors8
    Atoms36
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR940909.