当前位置: 首页 » 资料 » 化学物质数据库 » ZINC04820515,,, :Molecular Weight311.13997 [g/mol]Molecular FormulaC

ZINC04820515,,, :Molecular Weight311.13997 [g/mol]Molecular FormulaC

放大字体  缩小字体 更新日期:2018-11-23  浏览次数:1
摘 要:ZINC04820515,,, :Molecular Weight311.13997 [g/mol]Molecular FormulaC8H10INO2SXLogP2.4H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count3Exact Mass310.947692MonoIsotopic Mass310.947692Topological Polar Surface Area46.2Heavy Atom Count13Formal Charge0
[Synonyms]
ZINC04820515


Properties Computed from Structure:Molecular Weight311.13997 [g/mol]Molecular FormulaC8H10INO2SXLogP2.4H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count3Exact Mass310.947692MonoIsotopic Mass310.947692Topological Polar Surface Area46.2Heavy Atom Count13Formal Charge0Complexity239Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: N-ethyl-4-iodobenzenesulfonamide
Canonical SMILES: CCNS(=O)(=O)C1=CC=C(C=C1)I
InChI: InChI=1/C8H10INO2S/c1-2-10-13(11,12)8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3


Compound Info:CID: 2982277  Create Date: 2005-07-30

Similar Compounds: 95 Links


Substance Info:Substances: 6 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 10020215 - External ID: 2982277

Substance Vendors: 4 Links
   Ambinter ( 1 )
SID: 49072240 - External ID: 7119250144
   ChemBridge ( 1 )
SID: 3693170 - External ID: 7983710
   ChemSpider ( 1 )
SID: 34623804 - External ID: 2254266
   ZINC ( 1 )
SID: 12594807 - External ID: ZINC04820515

Theoretical Properties: 2 Links
   ChemDB ( 1 )
SID: 7332099 - External ID: 7537232
   ZINC ( 1 )
SID: 12594807 - External ID: ZINC04820515

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2982277Molecular Weight311.13997 [g/mol]Molecular FormulaC8H10INO2SXLogP2.4H-Bond Donor1H-Bond Acceptor3  Links
Chemical Structure Search

 Write to Helpdesk | Disclaimer | Privacy statement | Accessibility var gaJsHost = (("https:" == document.location.protocol) ? "https://www." : "http://www."); document.write(unescape("%3Cscript src='" + gaJsHost + "ncbi.nlm.nih.gov/Structure/ga.js' type='text/javascript'%3E%3C/script%3E"));var pageTracker = _gat._getTracker("UA-4307947-1"); pageTracker._initData(); pageTracker._trackPageview();
[Structure]
ZINC04820515,,,   :Molecular Weight311.13997 [g/mol]Molecular FormulaC

[ Properties Computed from Structure]
Molecular Weight311.13997 [g/mol]
Molecular FormulaC8H10INO2S
XLogP2.4
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count3
Exact Mass310.947692
MonoIsotopic Mass310.947692
Topological Polar Surface Area46.2
Heavy Atom Count13
Formal Charge0
Complexity239
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: N-ethyl-4-iodobenzenesulfonamide
Canonical SMILES: CCNS(=O)(=O)C1=CC=C(C=C1)I
InChI: InChI=1/C8H10INO2S/c1-2-10-13(11,12)8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3

 
本文导航:
  • (1) ZINC04820515,,, :Molecular Weight311.13997 [g/mol]Molecular FormulaC
  • 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