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canSAR1971651
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NAMES
    SMILES
    CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)O.Cl
    InChI
    InChI=1S/C12H13F3N2O4.ClH/c1-6(2)10(11(18)19)16-8-4-3-7(12(13,14)15)5-9(8)17(20)21;/h3-6,10,16H,1-2H3,(H,18,19);1H/t10-;/m0./s1
    MOLECULAR FORMULA
    C12H14ClF3N2O4
    CROSS REFERENCES
    1971651 logo

    canSAR1971651

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 342.06
    AlogP 3.56
    HBond donors 2
    HBond acceptors 6
    Atoms 36
    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 canSAR1971651.