10967/70 - QDB Compounds

QsarDB Repository

Jaworska, J.S.; Schultz, T.W. Quantitative Relationships of Structure-Activity and Volume Fraction For Selected Nonpolar and Polar Narcotic Chemicals. SAR QSAR Environ. Res. 1993, 1, 1, 3–19.

65 compounds | Property pIGC50: 48-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

IDNamepIGC50Details
1Methanol-2.77View
2Ethanol-2.41View
32-Propanol-1.99View
41-Propanol-1.84View
52-Butanol-1.64View
62-Methyl-1-propanol-1.47View
71-Butanol-1.52View
81-Pentanol-1.12View
91-Hexanol-0.47View
101-Heptanol0.02View
111-Octanol0.51View
121-Nonanol0.77View
131-Decanol1.10View
141-Undecanol1.87View
151-Dodecanol2.07View
16Acetone-2.31View
172-Butanone-1.84View
183-Methyl-2-butanone-1.26View
193-Pentanone-1.53View
202-Pentanone-1.54View
214-Methyl-2-pentanone-1.31View
222-Hexanone-1.43View
235-Methyl-2-hexanone-0.70View
242-Heptanone-0.75View
252-Octanone-0.23View
262-Nonanone0.58View
275-Nonanone-0.01View
282-Decanone0.50View
292-Undecanone1.43View
30Aniline0.12View
314-Toluidine-0.22View
322-Chloroaniline-0.09View
334-Ethylaniline0.04View
342-Chloro-4-nitroaniline0.75View
35Pentafluoroaniline0.20View
364-Ethoxy-2-nitroaniline0.76View
372-Chloro-4-methylaniline0.24View
384-Tetra-fluoro-3-toluidine0.91View
393,4-Dichloroaniline1.14View
403-Benzyloxyaniline0.88View
414-Butylaniline1.05View
422,3,4-Trichloroaniline1.35View
434-Hexyloxylaniline1.38View
444-Octylaniline2.34View
454-Methoxyphenol-0.14View
46Phenol-0.43View
473-Methoxyphenol-0.27View
482-Nitrophenol-0.67View
494-Methylphenol0.19View
502-Methylphenol-0.27View
512-Chlorophenol0.28View
522,4-Dimethylphenol-0.03View
534-Chlorophenol0.55View
544-Ethylphenol0.21View
552-Allylphenol0.35View
561-Naphthol0.76View
572,4-Dichlorophenol1.04View
584-Propylphenol0.64View
594-Tert-butylphenol0.91View
602-Phenylphenol1.09View
612,4,6-Trichlorophenol1.70View
624-Phenoxyphenol1.36View
634-Tert-pentylphenol1.23View
642,4,6-Tribromophenol1.60View
654-Nonylphenol2.40View

Bibliography

  1. Jaworska, J. S.; Schultz, T. W. Quantitative Relationships of Structure-Activity and Volume Fraction For Selected Nonpolar and Polar Narcotic Chemicals. SAR QSAR Environ. Res. 1993, 1, 3–19. http://dx.doi.org/10.1080/10629369308028812

  2. Schultz, T. W.; Arnold, L. M.; Wilke, T. S.; Moulton, M. P. Relationships of quantitative structure-activity for normal aliphatic alcohols. Ecotox. Environ. Saf. 1989, 19, 243–253. http://dx.doi.org/10.1016/0147-6513(90)90026-2

  3. Schultz, T. W.; Lin, D. T.; Wilke, T. S.; Arnold, L. M. Quantitative structure-activity relationships for the Tetrahymena pyriformis population growth endpoint: a mechanism of action approach. In Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology; Karcher, W.; Devillers, J., Eds.; Joint Research Centre; 1990.

  4. Schultz, T. W.; Wyatt, N. L.; Lin, D. T. Structure-toxicity relationships for nonpolar narcotics: A comparison of data from the tetrahymena, photobacterium and pimephales systems. Bull. Environ. Contam. Toxicol. 1990, 44, 67–72. http://dx.doi.org/10.1007/BF01702363