canSAR2096021
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCC[n+]1ccc2c(O)cccc2c1.[Br-]
    InChI
    InChI=1S/C25H39NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-21-19-24-23(22-26)17-16-18-25(24)27;/h16-19,21-22H,2-15,20H2,1H3;1H
    MOLECULAR FORMULA
    C25H40BrNO
    CROSS REFERENCES
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    canSAR2096021
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight449.23
    AlogP4.32
    HBond donors1
    HBond acceptors2
    Atoms68
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096021.