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  • 1,5-dimethyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole,Canonical SMILES:
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]
    1,5-dimethyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole,Canonical SMILES:

    [ Properties Computed from Structure]
    Molecular Weight248.32234 [g/mol]
    Molecular FormulaC17H16N2
    XLogP3.7
    H-Bond Donor1
    H-Bond Acceptor2
    Rotatable Bond Count0
    Tautomer Count2
    Exact Mass248.131349
    MonoIsotopic Mass248.131349
    Topological Polar Surface Area28.2
    Heavy Atom Count19
    Formal Charge0
    Complexity389
    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: 1,5-dimethyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole
    Canonical SMILES: CC1=C2C(=CC3=C1CCN=C3C)C4=CC=CC=C4N2
    InChI: InChI=1/C17H16N2/c1-10-12-7-8-18-11(2)14(12)9-15-13-5-3-4-6-16(13)19-17
    (10)15/h3-6,9,19H,7-8H2,1-2H3

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