当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00375685,IVK/9090484,AK-968/41925811, (E)-3-(4-chlorophenyl)-N-cyc

ZINC00375685,IVK/9090484,AK-968/41925811, (E)-3-(4-chlorophenyl)-N-cyc

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:4
摘 要:ZINC00375685,IVK/9090484,AK-968/41925811, (E)-3-(4-chlorophenyl)-N-cyclooctylprop-2-enamide,Canonical SMILES: C1CCCC(CCC1)NC(=O)C=CC2=CC=C(C=C2)Cl,Isomeric SMILES: C1CCCC(CCC1)NC(=O)\C=C\C2=CC=C(C=C2)Cl,InChI: InChI=1/C17H22ClNO/c18-15-11-8-14(9-12-1
[Synonyms]
ZINC00375685
IVK/9090484
AK-968/41925811

[Structure]
ZINC00375685,IVK/9090484,AK-968/41925811, (E)-3-(4-chlorophenyl)-N-cyc

[ Properties Computed from Structure]
Molecular Weight291.81568 [g/mol]
Molecular FormulaC17H22ClNO
XLogP5.3
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count3
Tautomer Count2
Exact Mass291.138992
MonoIsotopic Mass291.138992
Topological Polar Surface Area29.1
Heavy Atom Count20
Formal Charge0
Complexity313
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)-3-(4-chlorophenyl)-N-cyclooctylprop-2-enamide
Canonical SMILES: C1CCCC(CCC1)NC(=O)C=CC2=CC=C(C=C2)Cl
Isomeric SMILES: C1CCCC(CCC1)NC(=O)\C=C\C2=CC=C(C=C2)Cl
InChI: InChI=1/C17H22ClNO/c18-15-11-8-14(9-12-15)10-13-17(20)19-16-6-4-2-1-3-5-
7-16/h8-13,16H,1-7H2,(H,19,20)/b13-10+/f/h19H

 
本文导航:
  • (1) ZINC00375685,IVK/9090484,AK-968/41925811, (E)-3-(4-chlorophenyl)-N-cyc
  • 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