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canSAR1152728
FEATURES
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NAMES
    SMILES
    CC1=C(C)C(=O)N(c2cccc([N+](=O)[O-])c2C)C1=O
    InChI
    InChI=1S/C13H12N2O4/c1-7-8(2)13(17)14(12(7)16)10-5-4-6-11(9(10)3)15(18)19/h4-6H,1-3H3
    MOLECULAR FORMULA
    C13H12N2O4
    CROSS REFERENCES
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    canSAR1152728

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 260.08
    AlogP 2.11
    HBond donors 0
    HBond acceptors 6
    Atoms 31
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1152728.