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            当前地位: 九五至尊娱乐在线游戏 » 材料 » 化学物质数据库 » ZINC00030919 (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenoxy)propan-1

            ZINC00030919 (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenoxy)propan-1

            放大年夜字体  缩小字体 更新日期:2018-05-07  浏览次数:3
            九五至尊网址886868:ZINC00030919 (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenoxy)propan-1-one,Canonical SMILES: CC(C(=O)N1CCCC2=CC=CC=C21)OC3=CC=CC=C3,Isomeric SMILES: C[C@@H](C(=O)N1CCCC2=CC=CC=C21)OC3=CC=CC=C3,InChI: InChI=1/C18H19NO2/c1-14(21-16-10-3-2-4-11-16)18(20
            [Synonyms]
            ZINC00030919
            [Structure]
            ZINC00030919 (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenoxy)propan-1

            [ Properties Computed from Structure]
            Molecular Weight281.34896 [g/mol]
            Molecular FormulaC18H19NO2
            XLogP3.5
            H-Bond Donor0
            H-Bond Acceptor2
            Rotatable Bond Count3
            Exact Mass281.141579
            MonoIsotopic Mass281.141579
            Topological Polar Surface Area29.5
            Heavy Atom Count21
            Formal Charge0
            Complexity351
            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: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenoxy)propan-1-one
            Canonical SMILES: CC(C(=O)N1CCCC2=CC=CC=C21)OC3=CC=CC=C3
            Isomeric SMILES: C[C@@H](C(=O)N1CCCC2=CC=CC=C21)OC3=CC=CC=C3
            InChI: InChI=1/C18H19NO2/c1-14(21-16-10-3-2-4-11-16)18(20)19-13-7-9-15-8-5-6-
            12-17(15)19/h2-6,8,10-12,14H,7,9,13H2,1H3/t14-/m0/s1

             
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