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Compound: 5546
Plants: 312
References: 992
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Lineoleoyl chloride
ScientificNameLabel
Lineoleoyl chloride
PHCD compound ID :
3909
Chemical Names :
Lineoleoyl chloride
Molecular Formula :
C18H31Cl1O1
Molecular Weight :
298.206343
More Details :
Names & Synonyms:
(9Z,12Z)-octadeca-9,12-dienoyl chloride
Smiles:
CCCCC/C=C\C/C=C\CCCCCCCC(=O)Cl
InChi :
InChI=1S/C18H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3/b7-6-,10-9-
InChi Key :
InChIKey=FBWMYSQUTZRHAT-HZJYTTRNSA-N
PubChem ID :
9817754
Rotatable bond count :
14
Rule of five :
2
Hydrogen bond acceptor count :
1
Ionization potential :
9.607035
Hydrogen bond donor count :
0
Electric dipole moment :
3.868
XLogP :
8.526
VDW volume :
335.9761
Molecular weight :
298.206343
HOMO-LUMO gap :
9.567000
Herb list :
Jujube - Ziziphus jujuba - عناب
Refrences & Litretures:
532. Journal:'J PURE APPL MICROBIO' Year:'2013' Volume:'7' Page:'379' DOI:'' Title:'Chemical Composition and Antimicrobial Activity of Ziziphus jujuba Seeds Extract'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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