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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
(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:
Internationally accepted calculation method, EPI-Suite EPA (USA).
Principles of method if other than guideline:
Calculation by EPI-Suite KOWWIN v1.68 estimate.
Type of method:
other: estimated by calculation.
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
SMILES : CN(C)C3CC(C)OC(OC2C(C)C(OC1CC(C)(OC)C(O)C(C)O1)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NO)C(C)CC2(C)OC)C3O
Key result
Partition coefficient:
2.96
Remarks on result:
other: QSAR predicted value

KOWWIN V1.68 predicted that (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)-oxy]-14-ethyl-,12,13-dihydroxy-10-(E)-hydroxyimino-3,5,7,9,11,13-hexamethyl-7-O-methyl--6-{[[3,4,6-trideoxy-3-(dimethylamino)- β-D-xylo-hexopyranosyl]oxy}oxacyclotetradecane-2-one ha a Partition coefficient = 2.96

Conclusions:
The estimated partition coefficient expressed as Log Pow is 2.96 (EPI-Suite, KOWWIN v1.68 estimate).
Executive summary:

The estimated partition coefficient expressed as Log Pow is 2.96 (EPI-Suite, KOWWIN v1.68 estimate).

Description of key information

Key study: Internationally accepted calculation method, EPI-Suite EPA (USA). The estimated partition coefficient expressed as Log Pow is 2.96 (EPI-Suite, KOWWIN v1.68 estimate).

Key value for chemical safety assessment

Log Kow (Log Pow):
2.96

Additional information