Registration Dossier

Administrative data

Endpoint:
dissociation constant
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2002
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2002
Report Date:
2002

Materials and methods

Test guideline
Guideline:
other: Estimation Program "ACD/pKa DB" (Advanced Chemistry Development Inc., Toronto, Canada)'
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
Purity not specified



Results and discussion

Dissociating properties:
no

Any other information on results incl. tables

1-alpha-Methyl-4-androstene-3,17-dione can be considered as a neutral molecule in the pH range 2 -10, which is of relevance for biological systems.

Applicant's summary and conclusion

Conclusions:
1-alpha-Methyl-4-androstene-3,17-dione can be considered as a neutral molecule in the pH range 2 -10, which is of relevance for biological systems.
Executive summary:

The chemical structure of 1-alpha-Methyl-4-androstene-3,17-dione does not show any groups, which can be protonated or deprotonated. With the computer program ACD/pKa DB a pKa value could not be calculated. Therefore it can be considered as a neutral molecule in the pH range 2-10, which is of relevance for biological systems.