当前位置: 首页 » 资料 » 化学物质数据库 » CBMicro_029131,Oprea1_097019,Oprea1_836023,MLS001206532,ZINC00434329,B

CBMicro_029131,Oprea1_097019,Oprea1_836023,MLS001206532,ZINC00434329,B

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:1
摘 要:CBMicro_029131,Oprea1_097019,Oprea1_836023,MLS001206532,ZINC00434329,BAS 00853039,SMR000515551,BIM-0029169.P001,2-(3,4-Dimethoxy-phenyl)-5-phenyl-[1,3,4]oxadiazole, 2-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole,Canonical SMILES: COC1=C(C=C(C=C1)C
[Synonyms]
CBMicro_029131
Oprea1_097019
Oprea1_836023
MLS001206532
ZINC00434329
BAS 00853039
SMR000515551
BIM-0029169.P001
2-(3,4-Dimethoxy-phenyl)-5-phenyl-[1,3,4]oxadiazole

[Structure]
CBMicro_029131,Oprea1_097019,Oprea1_836023,MLS001206532,ZINC00434329,B

[ Properties Computed from Structure]
Molecular Weight282.29396 [g/mol]
Molecular FormulaC16H14N2O3
XLogP4.4
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count4
Exact Mass282.100442
MonoIsotopic Mass282.100442
Topological Polar Surface Area57.4
Heavy Atom Count21
Formal Charge0
Complexity323
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-(3,4-dimethoxyphenyl)-5-phenyl-1,3,4-oxadiazole
Canonical SMILES: COC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3)OC
InChI: InChI=1/C16H14N2O3/c1-19-13-9-8-12(10-14(13)20-2)16-18-17-15(21-16)11-6-
4-3-5-7-11/h3-10H,1-2H3

 
本文导航:
  • (1) CBMicro_029131,Oprea1_097019,Oprea1_836023,MLS001206532,ZINC00434329,B
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注