当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_572234,Oprea1_772058,ZINC02068726,BAS 00342692,AG-690/36333043,

Oprea1_572234,Oprea1_772058,ZINC02068726,BAS 00342692,AG-690/36333043,

放大字体  缩小字体 更新日期:2018-11-27  浏览次数:17
摘 要:Oprea1_572234,Oprea1_772058,ZINC02068726,BAS 00342692,AG-690/36333043, spiro[3H-1,3-benzoxazine-2,1'-cyclododecane]-4-one,Canonical SMILES: C1CCCCCC2(CCCCC1)NC(=O)C3=CC=CC=C3O2,InChI: InChI=1/C19H27NO2/c21-18-16-12-8-9-13-17(16)22-19(20-18)14-10-6-4-
[Synonyms]
Oprea1_572234
Oprea1_772058
ZINC02068726
BAS 00342692
AG-690/36333043

[Structure]
Oprea1_572234,Oprea1_772058,ZINC02068726,BAS 00342692,AG-690/36333043,

[ Properties Computed from Structure]
Molecular Weight301.42318 [g/mol]
Molecular FormulaC19H27NO2
XLogP6.5
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count0
Tautomer Count2
Exact Mass301.204179
MonoIsotopic Mass301.204179
Topological Polar Surface Area38.3
Heavy Atom Count22
Formal Charge0
Complexity356
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: spiro[3H-1,3-benzoxazine-2,1'-cyclododecane]-4-one
Canonical SMILES: C1CCCCCC2(CCCCC1)NC(=O)C3=CC=CC=C3O2
InChI: InChI=1/C19H27NO2/c21-18-16-12-8-9-13-17(16)22-19(20-18)14-10-6-4-2-1-3-
5-7-11-15-19/h8-9,12-13H,1-7,10-11,14-15H2,(H,20,21)/f/h20H

 
本文导航:
  • (1) Oprea1_572234,Oprea1_772058,ZINC02068726,BAS 00342692,AG-690/36333043,
  • 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