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EC number: 204-065-8
CAS number: 115-10-6
Log Koc = 0.8898 L/kg, Koc = 7.759 L/kg (QSAR)
substance is a polar compound. A LogKoc was estimated using the KOCWIN
v2 QSAR equation where LogKoc = 0.55313LogKow + 0.9251 + correction
factors (where n = 447, r2 =0.9). This QSAR is preferred for use since
an experimental value LogKow of 0.1 was available for the substance
(Hansch et al., 1995). The Log Kow and MW of the substance lie within
the range of values defined by the training set. Since the test
substance lies within the domain of the QSAR as defined by these
parameter values and the mode of action, its prediction is considered
valid for use.
Leo A and Hoekman D. (1995). Exploring QSAR. Hydrophobic, Electronic,
and Steric Constants. ACS Professional Reference Book.,: American
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