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  • ZINC03433570 (1S,2R)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxa
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    ZINC03433570
    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight209.67208 [g/mol]
    Molecular FormulaC11H12ClNO
    XLogP2.6
    H-Bond Donor1
    H-Bond Acceptor1
    Rotatable Bond Count2
    Tautomer Count2
    Exact Mass209.060742
    MonoIsotopic Mass209.060742
    Topological Polar Surface Area29.1
    Heavy Atom Count14
    Formal Charge0
    Complexity223
    Isotope Atom Count0
    Defined Atom StereoCenter Count2
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: (1S,2R)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
    Canonical SMILES: CC1CC1C(=O)NC2=CC=C(C=C2)Cl
    Isomeric SMILES: C[C@@H]1C[C@@H]1C(=O)NC2=CC=C(C=C2)Cl
    InChI: InChI=1/C11H12ClNO/c1-7-6-10(7)11(14)13-9-4-2-8(12)3-5-9/h2-5,7,10H,6H2,
    1H3,(H,13,14)/t7-,10+/m1/s1/f/h13H

    ChemDrug版权识别码:626114432842146206372
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