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Dataset . 2023
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Dataset . 2023
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ZENODO
Dataset . 2024
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ZENODO
Dataset . 2023
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2024
License: CC BY
Data sources: Datacite
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Claim

Experimental n-octanol/water Partition/Distribution Coefficients Database for Small Molecules

Research datakeyboard_double_arrow_right Dataset 22 May 2023Publisher:Zenodo
Authors: William J. Zamora; Esteban Bertsch; Sebastian Suñer; Silvana Pinheiro;

doi: 10.5281/zenodo.7955521 , 10.5281/zenodo.7955522 , 10.5281/zenodo.8024182 , 10.5281/zenodo.13208946 , 10.5281/zenodo.7956685

Experimental n-octanol/water Partition/Distribution Coefficients Database for Small Molecules

Abstract

We critically compiled experimental values of logPN, pKa, logPI, and logDpH of 225 entries based on earlier literature reports. The experimental techniques of logPN , logDpH, and logPI for each molecule were thoroughly revised and added to the database. The molecules were classified between acids and bases according to their functional groups and pKa values. If you use this database please cite our ChemPhysChem paper

new version with additional references

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Keywords

Partition Coefficients, Distribution Coefficients, Lipophilicity, Hydrophobicity, Chemoinformatics, Partition Coefficients, Distribution Coefficients, Lipophilicity, Hydrophobicity, Chemoinformaticsm, pH

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
views
OpenAIRE UsageCountsViews provided by UsageCounts
downloads
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0
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47
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