4'-Chloro-4,4-dimethyl-3-(1-imidazolyl)-valerophenone

ScientificNameLabel

4'-Chloro-4,4-dimethyl-3-(1-imidazolyl)-valerophenone
PHCD compound ID :	5107
Chemical Names :	4'-Chloro-4,4-dimethyl-3-(1-imidazolyl)-valerophenone
Molecular Formula :	C16H19Cl1N2O1
Molecular Weight :	290.118591

More Details :

Names & Synonyms:
Smiles:	Clc1ccc(cc1)C(=O)C[C@@H](C(C)(C)C)n1cncc1
InChi :	InChI=1S/C16H19ClN2O/c1-16(2,3)15(19-9-8-18-11-19)10-14(20)12-4-6-13(17)7-5-12/h4-9,11,15H,10H2,1-3H3/t15-/m0/s1
InChi Key :	InChIKey=JBCCYTDFRVYKQU-HNNXBMFYSA-N
PubChem ID :

Rotatable bond count :	5	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	9.395710
Hydrogen bond donor count :	0	Electric dipole moment :	6.370
XLogP :	2.584	VDW volume :	268.955358
Molecular weight :	290.118591	HOMO-LUMO gap :	8.535000

Herb list :

Wild celery, Celery - Apium graveolens - کرفس، کرفس وحشی

Refrences & Litretures:


806. Journal:'Immunopharmacology and Immunotoxicology' Year:'2012' Volume:'34' Page:'205' DOI:'10.3109/08923973.2011.592534' Title:'Chemical composition, antioxidant activity and larvicidal efects of essential oil from leaves of Apium graveolens'

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