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: 28
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Nonanamide
ScientificNameLabel
Nonanamide
PHCD compound ID :
5281
Chemical Names :
Nonanamide
Molecular Formula :
C9H19N1O1
Molecular Weight :
157.146664
More Details :
Names & Synonyms:
nonanamide , pelargonamide
Smiles:
CCCCCCCCC(=O)N
InChi :
InChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H2,10,11)
InChi Key :
InChIKey=GHLZUHZBBNDWHW-UHFFFAOYSA-N
PubChem ID :
70709
Rotatable bond count :
7
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
10.304937
Hydrogen bond donor count :
1
Electric dipole moment :
3.761
XLogP :
2.859
VDW volume :
181.370849
Molecular weight :
157.146664
HOMO-LUMO gap :
11.692000
Herb list :
Rocket, Roquette - Eruca sativa - منداب
Refrences & Litretures:
844. Journal:'Flavour Fragr. J' Year:'2002' Volume:'17' Page:'187' DOI:'10.1002/ffj.1079' Title:'Composition of the essential oil from the leaves of Eruca sativa'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us