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Partition coefficient

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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
Reference:
Composition 1
Composition 2
Qualifier:
equivalent or similar to
Guideline:
other: estimated data
Principles of method if other than guideline:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 5-acetamido-2-aminobenzenesulphonic acid.
GLP compliance:
not specified
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material: 5-acetamido-2-aminobenzenesulphonic acid
- IUPAC name: 2-amino-5-acetamidobenzene-1-sulfonic acid
- Molecular formula: C8H10N2O4S
- Molecular weight: 230.243 g/mole
- Smiles :O=C(Nc1ccc(N)c(S(=O)(=O)O)c1)C
- Inchl: 1S/C8H10N2O4S/c1-5(11)10-6-2-3-7(9)8(4-6)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)
- Substance type: Organic
- Physical state: Solid crystal powder (white to yellowish grey)
Key result
Type:
log Pow
Partition coefficient:
-2.98
Remarks on result:
other: other details not available
Conclusions:
The estimated logPOW of the test substance 5-acetamido-2-aminobenzenesulphonic acid was -2.98
Executive summary:

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96 -78 -6)

The estimated logPOW of the test substance 5-acetamido-2-aminobenzenesulphonic acid was -2.98. Based on the estimated value, the test substance 5-acetamido-2-aminobenzenesulphonic acid can be considered hydrophillic in nature, which is also supported by the high water solubility of the test substance 5-acetamido-2-amino benzenesulphonic acid

Description of key information

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96 -78 -6)

The estimated logPOW of the test substance5-acetamido-2-aminobenzenesulphonic acidwas -2.98. Based on the estimated value, the test substance5-acetamido-2-aminobenzenesulphonic acidcan be considered hydrophillic in nature, which is also supported by the high water solubility of the test substance5-acetamido-2-amino benzenesulphonic acid

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.98
at the temperature of:
25 °C

Additional information

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96 -78 -6)

The estimated logPOW of the test substance5-acetamido-2-aminobenzenesulphonic acidwas -2.98. Based on the estimated value, the test substance5-acetamido-2-aminobenzenesulphonic acidcan be considered hydrophillic in nature, which is also supported by the high water solubility of the test substance5-acetamido-2-amino benzenesulphonic acid