2-苯甲酰基吡咯

• 常用名: 2-苯甲酰基吡咯
• 英文名: 2-Benzoylpyrrole
• CAS号: 7697-46-3
• 分子量: 171.19500
• 密度: 1.173 g/cm3
• 沸点: 305.7ºC at 760 mmHg
• 分子式: C₁₁H₉NO
• 熔点: 75-77ºC
• 闪点: 146.6ºC

2-苯甲酰基吡咯名称

• 中文名: 2-苯甲酰基吡咯
• 英文名: 2-Benzoylpyrrole

2-苯甲酰基吡咯物理化学性质

• 密度: 1.173 g/cm3
• 沸点: 305.7ºC at 760 mmHg
• 熔点: 75-77ºC
• 分子式: C₁₁H₉NO
• 分子量: 171.19500
• 闪点: 146.6ºC
• 精确质量: 171.06800
• PSA: 32.86000
• LogP: 2.24570
• InChIKey: NFGGQMYSOLVBLF-UHFFFAOYSA-N
• SMILES: O=C(c1ccccc1)c1ccc[nH]1
• 外观性状: 固体;White to Orange to Green powder to crystal
• 折射率: 1.608
• 储存条件: 存放于惰性气体之中;避免空气
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:1

  4.可旋转化学键数量:2

  5.互变异构体数量:5

  6.拓扑分子极性表面积:32.9

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:185

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

2-苯甲酰基吡咯毒性和生态

2-苯甲酰基吡咯靶点实验

查看更多实验

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

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实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

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实验名称：A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS979

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：Identifying Sarm1 TIR NADase inhibitors through high throughput HPLC assay 来源：24386 靶标：N/A External Id：Sarm1 TIR NADase inhibitors

实验名称：Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste... 来源：Broad Institute 靶标：N/A External Id：7124-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Binding affinity to PELI1 FHA domain (unknown origin) expressed in Escherichia coli B... 来源：ChEMBL 靶标：E3 ubiquitin-protein ligase pellino homolog 1 External Id：CHEMBL5519283

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2-苯甲酰基吡咯英文别名

• phenyl-pyrrol-2-yl-methanone
• Pyrrol-2-yl Phenyl Ketone
• 2-Benzoylpyrroline
• 2-Benzoyl-1H-pyrrole
• Phenyl-pyrrol-2-yl-keton