Chemical structure and properties of selected benzene compounds in relation to biological activity
| Autor: | R Haque, V H Freed |
|---|---|
| Rok vydání: | 1976 |
| Předmět: |
Octanol
Physicochemical Phenomenon Chemical Phenomena Spectrophotometry Infrared Chemistry Physical Vapor pressure Chemistry Health Toxicology and Mutagenesis Chemical structure Public Health Environmental and Occupational Health Biological activity Lethal Dose 50 Structure-Activity Relationship chemistry.chemical_compound Computational chemistry Benzene derivatives Benzene Derivatives Animals Thermodynamics Structure–activity relationship Organic chemistry Volatilization Benzene Research Article |
| Zdroj: | Environmental Health Perspectives |
| ISSN: | 1552-9924 0091-6765 |
| DOI: | 10.1289/ehp.761323 |
| Popis: | Four fundamental physical parameters of series of benzene derivatives were studied to ascertain correlations with biological activity. These included octanol/water coefficient, vapor pressure, infrared absorption (out-of-plane C-H vibration), and the pi values. Each physicochemical constant exhibited a partial correlation with biological activity suggesting that each played a role. It was presumed that more precise and specific data on the biological activity would have permitted a better correlation. It is postulated that the biological activity of a compound is due to the sum of such physicochemical factors as: partition coefficient, molecular geometry and spatial orientation, electronic characteristics of the molecular orbitals, and vibrational-rotational frequencies of constituent groups. |
| Databáze: | OpenAIRE |
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