canSAR1388193
FEATURES
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NAMES
    SMILES
    Br.CC(C)NC(C)Cc1ccc(O)c(O)c1
    InChI
    InChI=1S/C12H19NO2.BrH/c1-8(2)13-9(3)6-10-4-5-11(14)12(15)7-10;/h4-5,7-9,13-15H,6H2,1-3H3;1H
    MOLECULAR FORMULA
    C12H20BrNO2
    CROSS REFERENCES
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    canSAR1388193
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight289.07
    AlogP2.60
    HBond donors3
    HBond acceptors3
    Atoms36
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1388193.