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EC number: 848-721-7 | CAS number: 99368-66-8
- QSAR estimation of the partition coefficient using EPISuite v4.11/ KOWWIN v1.68, log P: -0.11
- QSAR estimation of the partition coefficient using ACD /Labs 2015 Release (Build 2726. 27 Nov 2014) / ACD/LogP classic:: -0.54 ( prediction is calssified as moderate accurate to poorly accurate)
- QSAR estimation of the partition coefficient using ACD /Labs 2015 Release (Build 2726. 27 Nov 2014) / ACD/LogP GALAS, log P: 0.41 ( reliability Index for the prediction is moderate)
There is no experimental data for the partition coefficient of 2-Hydroxy-5-nitro-3-(trifluoromethyl)pyridine (JAP-2) available. Three QSAR estimations were performed usind three different models.
2-Hydroxy-5-nitro-3-(trifluoromethyl)pyridine (JAP-2) and its structural fragments respectively are within the applicability domain of each of the used models. The highest value is used as key value for chemical safety assessment.
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