Free Chemical Databases



  • [Synonyms]
    Aceclofenac
    Aceclofenac (TN)
    Aceclofenacum [Latin]
    Prestwick_772
    Aceclofenaco [Spanish]
    Aceclofenac [BAN:INN]
    Aceclofenac (JAN/INN)
    Prestwick0_000175
    Prestwick1_000175
    Prestwick2_000175

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight354.18472 [g/mol]
    Molecular FormulaC16H13Cl2NO4
    XLogP3.6
    H-Bond Donor2
    H-Bond Acceptor5
    Rotatable Bond Count7
    Exact Mass353.022163
    MonoIsotopic Mass353.022163
    Topological Polar Surface Area75.6
    Heavy Atom Count23
    Formal Charge0
    Complexity411
    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-[2-[(2,6-dichlorophenyl)amino]phenyl]acetyl]oxyacetic acid
    Canonical SMILES: C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl
    InChI: InChI=1/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15
    (22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)/f/h20H



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