Registration Dossier

Administrative data

Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Pridicted data
Title:
R: QSAR Toolbox 2.3.0.1132 prediction
Author:
Sustainability Support Services
Year:
2012
Bibliographic source:
QSAR toolbox Version 2.3

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 401 (Acute Oral Toxicity)
Principles of method if other than guideline:
QSAR estimation
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES:c1(S(=O)(=O)O)c(N)cc(S(=O)(=O)O)cc1

Test animals

Species:
other: Rattus norvegicus

Administration / exposure

Route of administration:
oral: unspecified

Results and discussion

Effect levels
Sex:
not specified
Dose descriptor:
LD50
Effect level:
2 196.434 mg/kg bw
Based on:
test mat.

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

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

Domain logical expression index: "a"

Similarity boundary:Target: c1(S(=O)(=O)O)c(N)cc(S(=O)(=O)O)cc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Parametric boundary:The target chemical should have a value of log Kow which is >= -6.34

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is <= -0.463

Applicant's summary and conclusion

Interpretation of results:
not classified
Remarks:
Migrated information Criteria used for interpretation of results: EU
Executive summary:

2-aminobenzene-1,4-disulphonic acid do not have acute toxicity in oral category.