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EC number: 604-045-2
CAS number: 137862-53-4
of the Pow
the test substance was calculated to be 1.9 x 106(logPow6.3)
using the Rekker calculation method.
following pkavalues in the logarithm range of 1 – 14 for
acidic and basic groups in the molecular structure of the test substance
were calculated using the Perrin calculation method.
equation of the regression line at pH 7 was log k’ = 0.527 x log Pow–
0.636 ( r = 0.995, n = 12)
pH 2.5: log k’ = 0.507 x log Pow– 0.674 ( r = 0.996, n
results of the Rekker calculation method and the HPLC method differ more
than 0.3 log units. Since the HPLC method is a more accurate method, the
results of this method are:
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