当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00145725,ST5198257, (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pr

ZINC00145725,ST5198257, (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pr

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:3
摘 要:ZINC00145725,ST5198257, (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-propan-2-ylprop-2-enamide,Canonical SMILES: CC(C)NC(=O)C(=CC1=CC(=C(C=C1)O)OC)C#N,Isomeric SMILES: CC(C)NC(=O)/C(=C/C1=CC(=C(C=C1)O)OC)/C#N,InChI: InChI=1/C14H16N2O3/c1-9(2)16-14(18)
[Synonyms]
ZINC00145725
ST5198257

[Structure]
ZINC00145725,ST5198257, (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pr

[ Properties Computed from Structure]
Molecular Weight260.28844 [g/mol]
Molecular FormulaC14H16N2O3
XLogP2.3
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count6
Exact Mass260.116092
MonoIsotopic Mass260.116092
Topological Polar Surface Area82.4
Heavy Atom Count19
Formal Charge0
Complexity395
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-propan-2-ylprop-2-enamide
Canonical SMILES: CC(C)NC(=O)C(=CC1=CC(=C(C=C1)O)OC)C#N
Isomeric SMILES: CC(C)NC(=O)/C(=C/C1=CC(=C(C=C1)O)OC)/C#N
InChI: InChI=1/C14H16N2O3/c1-9(2)16-14(18)11(8-15)6-10-4-5-12(17)13(7-10)19-3/
h4-7,9,17H,1-3H3,(H,16,18)/b11-6+/f/h16H

 
本文导航:
  • (1) ZINC00145725,ST5198257, (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pr
  • 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