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canSAR1726458
FEATURES
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NAMES
    SMILES
    Br.CC(C)CC(N)C(=O)OCc1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C13H18N2O4.BrH/c1-9(2)7-12(14)13(16)19-8-10-3-5-11(6-4-10)15(17)18;/h3-6,9,12H,7-8,14H2,1-2H3;1H
    MOLECULAR FORMULA
    C13H19BrN2O4
    CROSS REFERENCES
    1726458 logo

    canSAR1726458

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 346.05
    AlogP 2.59
    HBond donors 2
    HBond acceptors 6
    Atoms 39
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1726458.