Estimation of Octanol-Water Partition Coefficient of Chloride Hydrocarbon by Group Contribution Method
نویسندگان
چکیده
منابع مشابه
Estimation of Octanol-Water Partition Coefficient Using Cationic Gemini Surfactants by Micellar Electrokinetic Chromatography
Mustafa GUZEL1, Cevdet AKBAY2*, Yatzka HOYOS2, David H. AHLSTROM2 1Istanbul Medipol University, International School of Medicine, Department of Medical Pharmacology (Chair), Regenerative and Restrorative Medicine Research Center (REMER) (Molecular Discovery and Development Group), Kavacık Campus, Kavacık/Beykoz-ISTANBUL 34810 2 Department of Chemistry and Physics, Fayetteville State University,...
متن کاملA New Approach on Estimation of Solubility and n-octanol/water Partition Coefficient for Organohalogen Compounds
The aqueous solubility (logW) and n-octanol/water partition coefficient (logP(OW)) are important properties for pharmacology, toxicology and medicinal chemistry. Based on an understanding of the dissolution process, the frontier orbital interaction model was suggested in the present paper to describe the solvent-solute interactions of organohalogen compounds and a general three-parameter model ...
متن کاملModeling the Octanol–Water Partition Coefficient of Substituted Phenols by the Use of Structure Information
This work presents the abilities in estimation and prediction of the octanol–water partition coefficient of some para-substituted phenols through the integration of complex structures information by the use of an original molecular descriptors family on the structure–property relationship approach. The proposed approach uses the complex information obtained from para-substituted phenols structu...
متن کاملPredicting water solubility and octanol water partition coefficient for carbon nanotubes based on the chiral vector
Components of the chiral vector of carbon nanotubes have been examined in role of structural descriptors. Two-variable models of water solubility and octanol water partition coefficient calculated with components of the chiral vectors have quite good statistical characteristics. These are in case of the water solubility: n=8, r(2)=0.99998, s=0.05338, F=126,611 (training set); n=8, r(2)=0.9999, ...
متن کاملRelationship of octanol/water partition coefficient and molecular weight to rat brain capillary permeability.
The rat brain capillary permeability coefficient was determined for 27 compounds. The relationship of permeability to octanol/water partition coefficient and molecular weight was found to be predictable for drugs with molecular weights less than 400.
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Chinese Journal of Chemical Engineering
سال: 2007
ISSN: 1004-9541
DOI: 10.1016/s1004-9541(07)60151-7