Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE
QSAR Model for lipophilicity: octanol – water partition coefficient
2. MODEL (incl. version number)
13.12.2010
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
3D Mol file
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
see attached file.
5. APPLICABILITY DOMAIN
see attached file.
6. ADEQUACY OF THE RESULT
see attached file.

Data source

Reference
Reference Type:
other: QSAR
Title:
Lipophilicity: octanol - water partition coefficient of caprylamidopropyl betaine. QSAR assessment.
Author:
University of Tartu.
Year:
2019
Bibliographic source:
QSAR Model for lipophilicity: octanol – water partition coefficient. Model version: 13.12.2010

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: REACH guidance R.6
GLP compliance:
no
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
2
Remarks on result:
other: data from QSAR

Applicant's summary and conclusion