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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Secondary source: estimated by calculation

Data source

Reference
Reference Type:
secondary source
Title:
Partition coefficient
Author:
KOWWIN v1.68
Bibliographic source:
Episuite v 4.11

Materials and methods

Test guideline
Qualifier:
no guideline available
GLP compliance:
no
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
(8S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,4,7,8,10,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile
EC Number:
601-332-4
Cas Number:
114882-16-5
Molecular formula:
C22H29NO3
IUPAC Name:
(8S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,4,7,8,10,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
4.77

Applicant's summary and conclusion

Conclusions:
The estimated log Pow of the substance is 4.77