Skip Navigation Links
ScientificNameLabel
benzo-diazepene
PHCD compound ID : 3318
Chemical Names :
benzo-diazepene
Molecular Formula : C9H8N2
Molecular Weight : 144.068748
More Details :
Names & Synonyms: 1H-1,2-benzodiazepine
Smiles: C1=NNc2c(C=C1)cccc2
InChi : InChI=1S/C9H8N2/c1-2-6-9-8(4-1)5-3-7-10-11-9/h1-7,11H
InChi Key : InChIKey=SVUOLADPCWQTTE-UHFFFAOYSA-N
PubChem ID : 134664
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.347632
Hydrogen bond donor count : 1 Electric dipole moment : 1.883
XLogP : 1.668 VDW volume : 137.41863
Molecular weight : 144.068748 HOMO-LUMO gap : 7.625000
Herb list :
Refrences & Litretures:
  
452.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'3915'      DOI:'10.1021/jf0353990'      Title:'Essential Oil of Valeriana officinalis L. Cultivars and Their Antimicrobial Activity As Influenced by Harvesting Time under Commercial Organic Cultivation'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us