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Diss Factsheets

Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
data is from modelling databases
Qualifier:
equivalent or similar to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid
GLP compliance:
not specified
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Name of test material : 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid
Molecular formula : C12H11N3O5S
Molecular weight : 309.301 g/mol
Physical Appearence : Solid
Smiles notation : O=S(=O)(O)c1c(Nc2ccc(N)cc2)ccc([N+]([O])=O)c1
InChl : GSITZZUEHIPPMH-UHFFFAOYSA-N
Key result
Type:
log Pow
Partition coefficient:
-2.38
Remarks on result:
other: No other data available
Conclusions:
The estimated logPOW of 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid was -2.38
Executive summary:

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid.

The estimated logPOW of 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid was -2.38

Based on the estimated value, 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid can be considered hydrophillic in nature, which is also supported by the water solubility of 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid.

Description of key information

The estimated logPOW of 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid was -2.38.

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.38

Additional information

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid.

The estimated logPOW of 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid was -2.38

Based on the estimated value, 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid can be considered hydrophillic in nature, which is also supported by the water solubility of 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid.