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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Qualifier:
no guideline followed
Principles of method if other than guideline:
EPI suite modelling
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
4.39
Temp.:
25 °C
pH:
7
Conclusions:
Partition coefficient of 1-{[3-(diethylamino)propyl]amino}-3-(4-{2-[4-(3-{[3-(diethylamino)propyl]amino}-2-hydroxypropoxy)phenyl]propan-2yl}phenoxy)propan-2-ol was determined to be logKow=4.39 using EPI win calculation.
Executive summary:

Partition coefficient of 1-{[3-(diethylamino)propyl]amino}-3-(4-{2-[4-(3-{[3-(diethylamino)propyl]amino}-2-hydroxypropoxy)phenyl]propan-2yl}phenoxy)propan-2-ol was determined to be logKow=4.39 using EPI win calculation.

Description of key information

Partition koefficient for components of the registered material was determined using EPI suite model. Lowest logKow is reported in summary section.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.39
at the temperature of:
25 °C

Additional information