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: 50
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Napthalenone
ScientificNameLabel
Napthalenone
PHCD compound ID :
1156
Chemical Names :
Napthalenone , Naphthalenone
Molecular Formula :
C10H8O1
Molecular Weight :
144.057515
More Details :
Names & Synonyms:
2H-naphthalen-1-one
Smiles:
O=C1CC=Cc2c1cccc2
InChi :
InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-6H,7H2
InChi Key :
InChIKey=RZPFVRFSYMUDJO-UHFFFAOYSA-N
PubChem ID :
12446728
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.349721
Hydrogen bond donor count :
0
Electric dipole moment :
2.911
XLogP :
1.482
VDW volume :
141.511321
Molecular weight :
144.057515
HOMO-LUMO gap :
8.590000
Herb list :
Great plantain, Waybread - Plantago major - بارهنگ كبير، بارهنگ
Rosemary, Moorwort - Rosmarinus officinalis - رومارن، رزماری، رمارن
Refrences & Litretures:
119. Journal:'World Appl. Sci. J' Year:'2011' Volume:'17' Page:'67' DOI:'' Title:'GC-MS Analysis of Various Extracts from Leaf of Plantago major Used as Traditional Medicine'
355. Journal:'Iranian Journal of Fisheries Sciences' Year:'2013' Volume:'12' Page:'702' DOI:'' Title:'Evaluation of the chemical composition and in vitro antimicrobial activity of Rosmarinus officinalis, Zataria multiflora, Anethum graveolens and Eucalyptus globulus against Streptococcus iniae; the cause of zoonotic disease in farmed fish'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us