Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 39
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
octadecenamide
ScientificNameLabel
octadecenamide
PHCD compound ID :
519
Chemical Names :
octadecenamide
Molecular Formula :
C18H35N1O1
Molecular Weight :
281.271865
More Details :
Names & Synonyms:
(E)-octadec-9-enamide , (E)-9-octadecenamide
Smiles:
CCCCCCCC/C=C/CCCCCCCC(=O)N
InChi :
InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9+
InChi Key :
InChIKey=FATBGEAMYMYZAF-MDZDMXLPSA-N
PubChem ID :
5353370
Rotatable bond count :
15
Rule of five :
2
Hydrogen bond acceptor count :
2
Ionization potential :
9.677058
Hydrogen bond donor count :
1
Electric dipole moment :
4.210
XLogP :
7.464
VDW volume :
334.398251
Molecular weight :
281.271865
HOMO-LUMO gap :
10.818000
Herb list :
Roman nettle, Burning nettle - Urtica pilulifera - انجره، گرنه توپی، گزنه رومی
Refrences & Litretures:
31. Journal:'Global Journal of Pharmacology' Year:'2013' Volume:'7' Page:'377' DOI:'10.5829/idosi.gjp.2013.7.4.1114' Title:'Steryl Glycosides, Lipoidal Matter and Volatile Constituents of Urtica pilulifera'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us