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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 » ZINC00030923 (2S)-2-(phenoxy)-N-(pyridin-4-ylmethyl)propanamide,Canoni

            ZINC00030923 (2S)-2-(phenoxy)-N-(pyridin-4-ylmethyl)propanamide,Canoni

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            九五至尊网址886868:ZINC00030923 (2S)-2-(phenoxy)-N-(pyridin-4-ylmethyl)propanamide,Canonical SMILES: CC(C(=O)NCC1=CC=NC=C1)OC2=CC=CC=C2,Isomeric SMILES: C[C@@H](C(=O)NCC1=CC=NC=C1)OC2=CC=CC=C2,InChI: InChI=1/C15H16N2O2/c1-12(19-14-5-3-2-4-6-14)15(18)17-11-13-7-9-16-10-
            [Synonyms]
            ZINC00030923
            [Structure]
            ZINC00030923 (2S)-2-(phenoxy)-N-(pyridin-4-ylmethyl)propanamide,Canoni

            [ Properties Computed from Structure]
            Molecular Weight256.29974 [g/mol]
            Molecular FormulaC15H16N2O2
            XLogP2.1
            H-Bond Donor1
            H-Bond Acceptor3
            Rotatable Bond Count5
            Tautomer Count2
            Exact Mass256.121178
            MonoIsotopic Mass256.121178
            Topological Polar Surface Area51.2
            Heavy Atom Count19
            Formal Charge0
            Complexity271
            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)-2-(phenoxy)-N-(pyridin-4-ylmethyl)propanamide
            Canonical SMILES: CC(C(=O)NCC1=CC=NC=C1)OC2=CC=CC=C2
            Isomeric SMILES: C[C@@H](C(=O)NCC1=CC=NC=C1)OC2=CC=CC=C2
            InChI: InChI=1/C15H16N2O2/c1-12(19-14-5-3-2-4-6-14)15(18)17-11-13-7-9-16-10-8-
            13/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m0/s1/f/h17H

             
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