Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
skin sensitisation
Remarks:
other: SAR analysis
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
other: QSAR System for prediction of protein binding, which is only one aspect in skin sensitization.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2011

Materials and methods

Test guideline
Qualifier:
no guideline available
Guideline:
other: not applicable
Principles of method if other than guideline:
A SAR/(Q)SAR prediction of the test substance for skin sensitisation was performed using the OECD Toolbox 2.2 affilliating an existing (Q)SAR model for skin sensitisation of the Danish EPA DB.

GLP compliance:
no
Type of study:
other: Not applicable

Test material

Constituent 1
Chemical structure
Reference substance name:
p-phenylbenzonitrile
EC Number:
220-860-2
EC Name:
p-phenylbenzonitrile
Cas Number:
2920-38-9
Molecular formula:
C13H9N
IUPAC Name:
biphenyl-4-carbonitrile
Details on test material:
SMILES:C(#N)c1ccc(-c2ccccc2)cc1

Results and discussion

Any other information on results incl. tables

Estimation method: SAR/(Q)SAR prediction
No explicit domain available. Predictions and domain results are pre-calculated and stored in database.
In domain

 

Applicant's summary and conclusion

Interpretation of results:
other: Negative
Conclusions:
No alert for protein binding was identified via the protein binding modules of the OECD QSAR toolbox.
Executive summary:





Categories Display