Registration Dossier

Administrative data

Endpoint:
skin sensitisation: in vivo (LLNA)
Type of information:
migrated information: read-across based on grouping of substances (category approach)
Adequacy of study:
supporting study
Study period:
2015
Reliability:
other: Prediction confidence is measured by the p-value = 0.0625
Rationale for reliability incl. deficiencies:
other: QSAR Toolbox: weak confidence

Data source

Reference
Reference Type:
other: QSAR
Title:
Unnamed
Year:
2015
Report Date:
2015

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
GLP compliance:
no
Type of study:
mouse local lymphnode assay (LLNA)

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES:Cc1cc(N)c(S(O)(=O)=O)cc1Cl

In vivo test system

Test animals

Species:
mouse

Results and discussion

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

(("a" and "b" )  and ("c" and "d" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Anilines (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

Similarity boundary:Target: Cc1cc(N)c(S(O)(=O)=O)cc1Cl
Threshold=50%,
Dice(Atom pairs;Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is >= -3

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.42

Applicant's summary and conclusion

Interpretation of results:
other: Negative
Conclusions:
Based on the analysis using OECD QSAR Toolbox, the target substance is considered to be negative for skin sensitisation.
Executive summary: