canSAR1388191
FEATURES
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NAMES
    SMILES
    CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1-c1ccc(F)cc1.[Na+]
    InChI
    InChI=1S/C21H21FO3.Na/c1-13(21(24)25)18-10-5-14(11-16-3-2-4-20(16)23)12-19(18)15-6-8-17(22)9-7-15;/h5-10,12-13,16H,2-4,11H2,1H3,(H,24,25);/q;+1/p-1
    MOLECULAR FORMULA
    C21H20FNaO3
    CROSS REFERENCES
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    canSAR1388191
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight362.13
    AlogP0.26
    HBond donors0
    HBond acceptors3
    Atoms46
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1388191.