Registration Dossier
Registration Dossier
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EC number: 646-413-5 | CAS number: 144689-24-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- other information
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: 4b: Secondary source
Data source
Reference
- Reference Type:
- secondary source
- Title:
- Partition coefficient n-octanol/water
- Author:
- ACD/Labs’ ACD/PhysChem Suite
- Bibliographic source:
- ChemSpider.com
Materials and methods
- Type of method:
- other: predicted value by ACD/Labs’ ACD/PhysChem Suite
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 4-(2-hydroxypropan-2-yl)-2-propyl-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylic acid
- EC Number:
- 646-413-5
- Cas Number:
- 144689-24-7
- Molecular formula:
- C24H26N6O3
- IUPAC Name:
- 4-(2-hydroxypropan-2-yl)-2-propyl-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylic acid
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 3.787
Applicant's summary and conclusion
- Conclusions:
- The substance has a predicted log Pow = 3.787
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