QSAR Study on solubility of alkanes in water and Their partition coefficients in different solvent systems using PI index

Padmakar V Khadikar,Dheeraj Mandloi,Amrit V Bajaj,Sheela Joshi

doi:10.1016/s0960-894x(02)00953-8

QSAR Study on solubility of alkanes in water and Their partition coefficients in different solvent systems using PI index

Padmakar V Khadikar, Dheeraj Mandloi + Show 2 more

https://doi.org/10.1016/s0960-894x(02)00953-8

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Journal: Bioorganic & Medicinal Chemistry Letters	Publication Date: Jan 28, 2003
Citations: 33

Affiliation: Indian Institute of Technology Indore, Devi Ahilya Vishwavidyalaya

#Padmakar–Ivan Index #Partition Coefficient + Show 8 more

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Abstract

The aqueous solubility ( S w) of liquids and solids, expressed as log S w as well as their partition coefficients in different solvent systems viz. P oct (partition coefficient in octanol-water), P 16 (partition coefficient in water-hexadecane), P alk (partition coefficient in water-alkane), and P cyc (partition coefficient in water-cyclohexane), and aqueous solubility ( S w) have been estimated using the PI (Padmakar–Ivan) index and the results compared with those obtained using the widely used Wiener index (W). Regression analysis of the data using n-alkanes show that the PI index gives better results than the W index.

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