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  • STOCK2S-39957,ZINC00509734, 2-chloro-3-(4-methylpiperidin-1-yl)naphtha
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    STOCK2S-39957
    ZINC00509734

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight289.75674 [g/mol]
    Molecular FormulaC16H16ClNO2
    XLogP3.9
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count1
    Exact Mass289.086956
    MonoIsotopic Mass289.086956
    Topological Polar Surface Area37.4
    Heavy Atom Count20
    Formal Charge0
    Complexity463
    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-chloro-3-(4-methylpiperidin-1-yl)naphthalene-1,4-dione
    Canonical SMILES: CC1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl
    InChI: InChI=1/C16H16ClNO2/c1-10-6-8-18(9-7-10)14-13(17)15(19)11-4-2-3-5-12(11)
    16(14)20/h2-5,10H,6-9H2,1H3

    ChemDrug版权识别码:1573588748402122546
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