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  • ZINC00519171 (3aR)-4-(2-chloroacetyl)-1,2,3,3a-tetrahydropyrrolo[2,,1-
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    ZINC00519171
    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight264.70752 [g/mol]
    Molecular FormulaC13H13ClN2O2
    XLogP1.7
    H-Bond Donor0
    H-Bond Acceptor2
    Rotatable Bond Count1
    Exact Mass264.066555
    MonoIsotopic Mass264.066555
    Topological Polar Surface Area40.6
    Heavy Atom Count18
    Formal Charge0
    Complexity374
    Isotope Atom Count0
    Defined Atom StereoCenter Count1
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: (3aR)-4-(2-chloroacetyl)-1,2,3,3a-tetrahydropyrrolo[2,
    1-b]quinazolin-9-one
    Canonical SMILES: C1CC2N(C1)C(=O)C3=CC=CC=C3N2C(=O)CCl
    Isomeric SMILES: C1C[C@@H]2N(C1)C(=O)C3=CC=CC=C3N2C(=O)CCl
    InChI: InChI=1/C13H13ClN2O2/c14-8-12(17)16-10-5-2-1-4-9(10)13(18)15-7-3-6-11
    (15)16/h1-2,4-5,11H,3,6-8H2/t11-/m1/s1

    ChemDrug版权识别码:64484047853767713436
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