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EC number: 931-299-4
CAS number: 68390-94-3
Constituents of the substance contain long alkyl chains. Even in the
case of the shortest chains (C16 -C16), the number of -CH2- instances
(30) exceeds the maximum number of those instances in the training set
molecules (18). As a consequence, all 3 constituents are not completely
compliant with the applicability domain of the model, and it can be with
a high confidence estimated that the log Kow is high: log Kow > 10.
The results of the calculations clearly indicate that the substance is
highly lipophilic, with an estimated log Kow > 10 (QSAR, EPI Suite
v4.11, KOWWIN v1.68)
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