Registration Dossier
Registration Dossier
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EC number: 613-915-0 | CAS number: 66233-43-0
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Study period:
- 29 Nov 2002
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- The pKa was calculated with the computer programm ACD/pKa DB, Advanced Chemistry Development Inc., Toronto, Canada.
- GLP compliance:
- no
- Dissociating properties:
- no
- Conclusions:
- The chemical structure of the substance does not show any groups which can be protonated or deprotonated in the pH range of 2 to 10. Therefore, the substance can be considered as a neutral molecule in this pH range, which is of relevance for aqueous biological systems.
- Executive summary:
The chemical structure of the substance does not show any groups which can be protonated or deprotonated in the pH range of 2 to 10. Therefore, the substance can be considered as a neutral molecule in this pH range, which is of relevance for aqueous biological systems.
Further, with the computer program ACD/pKa DB a pKa value could not be calculated due to a lack of dissociable groups. Therefore the test substance is to be considered a neutral molecule in the pH range 2 -10, which is of relevance for aqueous biological systems.
Reference
The chemical structure of the substance does not show any groups, which can be protonated or deprotonated in the pH range of 2 to 10. Therefore, the substance can be considered as a neutral molecule in this pH range, which is of relevance for aqueous biological systems.
Further, with the computer program ACD/pKa DB a pKa value could not be calculated due to a lack of dissociable groups. Therefore the test substance is to be considered a neutral molecule in the pH range 2 -10.
Description of key information
The chemical structure of DELTA-9(11)-Fluocortolon-Valerat does not show any groups which can be protonated or deprotonated in the pH range of 2 to 10. Therefore, the substance can be considered as a neutral molecule in this pH range, which is of relevance for aqueous biological systems
Key value for chemical safety assessment
Additional information
With the computer program ACD/pKa DB a pKa value could not be calculated due to lack of dissociable groups.
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