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Physical & Chemical properties

Partition coefficient

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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

Constituent 1
Chemical structure
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

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