Chlamydia pneumoniae-IN-1结构式

Chlamydia pneumoniae-IN-1
英文名称:Chlamydia pneumoniae-IN-1
CAS No.:518010-44-1
分子式:C19H15N3OS 分子量:333.406902551651
Chlamydia pneumoniae-IN-1 数据
Mol:
-1.1307    0.6446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9153    0.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9153    1.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1307    1.9795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6298    0.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3443    0.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3443    1.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6298    2.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0587    2.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  1  5  1  0      
  6  7  2  0      
  6  8  1  0      
  1  6  1  0      
  9 10  1  0      
 10 11  2  0      
 11 12  1  0      
 12 13  2  0      
 13 14  1  0      
  9 14  2  0      
 15 16  2  0      
 16 17  1  0      
 17 18  1  0      
 18 19  1  0      
 15 19  1  0      
 20 21  1  0      
 21 22  2  0      
 22 23  1  0      
 23 18  2  0      
 20 17  2  0      
 22 24  1  0      
 11 15  1  0      
  8  9  1  0      
M  END                                
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Chlamydia pneumoniae-IN-1 Smile 编码:
C1(C(NC2=CC=CC(C3NC4=CC(C)=CC=C4N=3)=C2)=O)SC=CC=1
Chlamydia pneumoniae-IN-1 InChi 编码:
1S/C19H15N3OS/c1-12-7-8-15-16(10-12)22-18(21-15)13-4-2-5-14(11-13)20-19(23)17-6-3-9-24-17/h2-11H,1H3,(H,20,23)(H,21,22)
Chlamydia pneumoniae-IN-1 InChiKey 编码:
BDHYTOROWXHRFW-UHFFFAOYSA-N