当前位置: 首页 » 资料 » 化学物质数据库 » 2-ethyl-6-fluoro-3-methylquinoline-4-carboxylic acid,Canonical SMILES

2-ethyl-6-fluoro-3-methylquinoline-4-carboxylic acid,Canonical SMILES

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:1
摘 要: 2-ethyl-6-fluoro-3-methylquinoline-4-carboxylic acid,Canonical SMILES: CCC1=C(C(=C2C=C(C=CC2=N1)F)C(=O)O)C,InChI: InChI=1/C13H12FNO2/c1-3-10-7(2)12(13(16)17)9-6-8(14)4-5-11(9)15-10/h4-,6H,3H2,1-2H3,(H,16,17)/f/h16H,Molecular Weight233.238283 [g/mol]
[Synonyms]

[Structure]
 2-ethyl-6-fluoro-3-methylquinoline-4-carboxylic acid,Canonical SMILES

[ Properties Computed from Structure]
Molecular Weight233.238283 [g/mol]
Molecular FormulaC13H12FNO2
XLogP2.7
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count2
Tautomer Count2
Exact Mass233.085207
MonoIsotopic Mass233.085207
Topological Polar Surface Area50.2
Heavy Atom Count17
Formal Charge0
Complexity297
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-ethyl-6-fluoro-3-methylquinoline-4-carboxylic acid
Canonical SMILES: CCC1=C(C(=C2C=C(C=CC2=N1)F)C(=O)O)C
InChI: InChI=1/C13H12FNO2/c1-3-10-7(2)12(13(16)17)9-6-8(14)4-5-11(9)15-10/h4-
6H,3H2,1-2H3,(H,16,17)/f/h16H

 
本文导航:
  • (1) 2-ethyl-6-fluoro-3-methylquinoline-4-carboxylic acid,Canonical SMILES
  • 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