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  • 2-(2-dimethylaminoethyl)-4-ethyl-6-phenylpyridazin-3-one,Canonical SM
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]
    2-(2-dimethylaminoethyl)-4-ethyl-6-phenylpyridazin-3-one,Canonical SM

    [ Properties Computed from Structure]
    Molecular Weight271.35744 [g/mol]
    Molecular FormulaC16H21N3O
    XLogP2.5
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count5
    Exact Mass271.168462
    MonoIsotopic Mass271.168462
    Topological Polar Surface Area35.9
    Heavy Atom Count20
    Formal Charge0
    Complexity406
    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: 2-(2-dimethylaminoethyl)-4-ethyl-6-phenylpyridazin-3-one
    Canonical SMILES: CCC1=CC(=NN(C1=O)CCN(C)C)C2=CC=CC=C2
    InChI: InChI=1/C16H21N3O/c1-4-13-12-15(14-8-6-5-7-9-14)17-19(16(13)20)11-10-18
    (2)3/h5-9,12H,4,10-11H2,1-3H3

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