Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
EPISUIT (v4.11)

SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL.
CCN1CCN(C(=O)NC(C(=O)(O))c2ccccc2)C(=O)C1(=O)

SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10].

Data source

Reference
Reference Type:
other: QSAR
Title:
EPI Suite v 4.1 /KOWWIN v1.68
Author:
US EPA
Year:
2011
Bibliographic source:
http://epa.gov/oppt/exposure/pubs/episuite.htm

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: EACH Guidance on QSARs R.6
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
0.75
Temp.:
25 °C
Remarks on result:
not determinable because of methodological limitations

Applicant's summary and conclusion

Conclusions:
Log Octanol-Water Partition Coeficient of 0.75 is expected.