Predicting Aqueous Solubility of Chlorinated Hydrocarbons by the MCI Approach

Predicting Aqueous Solubility of Chlorinated Hydrocarbons by the MCI Approach

Correlation for estimation of the aqueous solubility (logSw) of chlorinatedhydrocarbons molecules is proposed. The MCI based quantitative structure-propertyrelationship (QSPR) model proposed is predictive and requires only three connectivityindices in the calculation. The correlation equation obtain...

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Bibliographic Details
Main Authors: Wei-Zhong An, Lian-Ying Wu, Yang-Dong Hu, Ying-Long Wang
Format: Article
Language:English
Published: MDPI AG 2006-02-01
Series:International Journal of Molecular Sciences
Subjects:
molecular connectivity index
aqueous solubility
QSPR
chlorinated hydrocarbons
property model
Online Access:http://www.mdpi.com/1422-0067/7/2/47/

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http://www.mdpi.com/1422-0067/7/2/47/

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