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: 45
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Spermine
ScientificNameLabel
Spermine
PHCD compound ID :
2411
Chemical Names :
Spermine
Molecular Formula :
C10H26N4
Molecular Weight :
202.215747
More Details :
Names & Synonyms:
N,N'-bis(3-aminopropyl)butane-1,4-diamine , N,N'-bis(3-azanylpropyl)butane-1,4-diamine , 3-aminopropyl-[4-(3-aminopropylamino)butyl]amine
Smiles:
NCCCNCCCCNCCCN
InChi :
InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
InChi Key :
InChIKey=PFNFFQXMRSDOHW-UHFFFAOYSA-N
PubChem ID :
1103
Rotatable bond count :
11
Rule of five :
1
Hydrogen bond acceptor count :
4
Ionization potential :
9.044822
Hydrogen bond donor count :
4
Electric dipole moment :
5.744
XLogP :
-0.682
VDW volume :
225.503346
Molecular weight :
202.215747
HOMO-LUMO gap :
11.911000
Herb list :
Barley - Hordeum vulgare - جو
Refrences & Litretures:
268. Journal:'Allelopathy Journal' Year:'2009' Volume:'24' Page:'225' DOI:'' Title:'Allelopathic Plants. 19. Barley (Hordeum vulgare L)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us