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: 32
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Pyrogallol
ScientificNameLabel
Pyrogallol
PHCD compound ID :
5505
Chemical Names :
Pyrogallol
Molecular Formula :
C6H6O3
Molecular Weight :
126.031694
More Details :
Names & Synonyms:
benzene-1,2,3-triol , pyrogallol
Smiles:
Oc1c(O)cccc1O
InChi :
InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
InChi Key :
InChIKey=WQGWDDDVZFFDIG-UHFFFAOYSA-N
PubChem ID :
1057
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
3
Ionization potential :
9.000060
Hydrogen bond donor count :
3
Electric dipole moment :
2.530
XLogP :
1.431
VDW volume :
107.537212
Molecular weight :
126.031694
HOMO-LUMO gap :
9.011000
Herb list :
Globe thistle - Echinops robustus - شکرتیغال غول آسا
Refrences & Litretures:
923. Journal:'Letters in Applied NanoBioScience' Year:'2020' Volume:'9' Page:'849' DOI:'10.33263/LIANBS91.849852' Title:'Chemical composition and antibacterial activity of methanolic extract from Echinops robustus on typical food-borne pathogens'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us