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canSAR1724681
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NAMES
    SMILES
    COC(=O)[C@H](c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1
    InChI
    InChI=1S/C13H16BrNO2/c1-17-13(16)12(11-3-2-8-15-11)9-4-6-10(14)7-5-9/h4-7,11-12,15H,2-3,8H2,1H3/p+1/t11-,12+/m0/s1
    MOLECULAR FORMULA
    C13H17BrNO2+
    CROSS REFERENCES
    1724681 logo

    canSAR1724681

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 298.04
    AlogP 1.43
    HBond donors 2
    HBond acceptors 3
    Atoms 34
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1724681.