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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight248.19492 [g/mol]
    Molecular FormulaC10H8N4O4
    XLogP-0.6
    H-Bond Donor5
    H-Bond Acceptor6
    Rotatable Bond Count1
    Tautomer Count42
    Exact Mass248.054555
    MonoIsotopic Mass248.054555
    Topological Polar Surface Area145
    Heavy Atom Count18
    Formal Charge0
    Complexity597
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 3-(5-amino-2-hydroxy-6-oxo-1H-pyridin-3-yl)-5-iminopyridine-2,6-dione
    Canonical SMILES: C1=C(C(=O)NC(=O)C1=N)C2=C(NC(=O)C(=C2)N)O
    InChI: InChI=1/C10H8N4O4/c11-5-1-3(7(15)13-9(5)17)4-2-6(12)10(18)14-8(4)16/h1-
    2,11H,12H2,(H,13,15,17)(H2,14,16,18)/b11-5-/f/h13-14,16H



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