10967/90 - QDB Compounds

QsarDB Repository

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.

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

IDNamepIGC50Details
1methanol-2.77View
2ethanol-2.41View
31-propanol-1.84View
41-butanol-1.52View
51-pentanol-1.12View
61-hexanol-0.47View
71-heptanol0.02View
81-octanol0.50View
91-nonanol0.77View
101-decanol1.10View
111-undecanol1.87View
121-dodecanol2.07View
131-tridecanol2.28View
141-tetradecanolNTASView
152-propanol-1.99View
162-pentanol-1.25View
173-pentanol-1.33View
182-methyl-1-butanol-1.13View
193-methyl-1-butanol-1.13View
203-methyl-2-butanol-1.08View
21(tert)pentanol-1.27View
22(neo)pentanol-0.96View
231-propylamine-0.85View
241-butylamine-0.70View
251-amylamine-0.61View
261-hexylamine-0.34View
271-heptylamine0.10View
281-octylamine0.51View
291-nonylamine1.59View
301-decylamine1.95View
311-unidecylamine2.26View
32phenol-0.43View
332-methylphenol-0.27View
342-ethylphenol0.18View
352-allylphenol0.35View
362-isopropylphenol0.80View
372-(tert)butylphenol1.24View
382-phenylphenol1.09View
392-fluorophenol0.28View
402-chlorophenol0.28View
412-bromophenol0.50View
422-nitrophenol0.67View
432-cyanophenol0.03View
442-hydroxybenzaldehyde0.48View
452-acetylphenol0.08View
462-aminophenol0.94View
47catechol0.75View
482-hydroxycarboxylic acid-0.62View
492-acetoamidophenolNTASView
502-hydroxybenzamide-0.24View
512-hydroxybenzylalcohol-0.95View
522-hydroxybenzaldoxime-0.25View
533-methylphenol-0.06View
543-ethylphenol0.23View
553-isopropylphenol0.61View
563-(tert)butylphenol0.73View
573-phenylphenol1.35View
583-pentadecylphenolNTASView
593-fluorophenol0.47View
603-chlorophenol0.96View
613-iodophenol1.12View
623-nitrophenol0.51View
633-cyanophenol-0.07View
643-hydroxybenzaldehyde0.08View
653-acetylphenol-0.38View
663-aminophenol-0.54View
673-hydroxyphenol-0.65View
683-hydroxycarboxylic acid-0.83View
693-methoxyphenol-0.14View
703-hydroxybenzyl alcohol-1.04View
71methyl-3-hydroxybenzoate-0.05View
72ethyl-3-hydroxybenzoate0.48View
734-ethylphenol0.21View
744-propylphenol0.64View
754-isopropylphenol0.47View
764-(sec)butylphenol0.98View
774-(tert)butylphenol0.91View
784-(tert)pentylphenol1.23View
794-cyclopentylphenol1.29View
804-phenylphenol1.38View
814-hydroxyphenylmethane1.20View
824-(tert)octylphenol2.09View
834-tritylphenolNTASView
84α,α,α-trifluoro-4-cresol0.62View
854-fluorophenol0.02View
864-chlorophenol0.55View
874-bromophenol0.68View
884-iodophenol0.85View
894-nitrophenol1.93View
904-nitrosophenol0.65View
914-cyanophenol0.52View
924-hydroxybenzaldehyde0.27View
934-acetylphenol-0.09View
944-hydroxypropiophenone0.06View
954-hydroxybenzophenone1.02View
964-hydroxybenzylcyanide-0.38View
974-aminophenol-0.08View
98hydroquinone0.47View
994-hydroxycarboxylic acid-1.32View
1004-methoxyphenol-0.14View
1014-ethoxyphenol0.01View
1024-butoxyphenol0.70View
1034-hexyloxyphenol1.65View
1044-heptyloxyphenol2.03View
1054-benzyloxyphenol1.04View
1064-acetoamidophenol-0.82View
1074-hydroxybenzamide-0.78View
1084-hydroxybenzyl alcoholNTASView
1094-hydroxyphenethyl alcohol-0.83View
110methyl-4-hydroxybenzoate0.08View
111ethyl-4-hydroxybenzoate0.57View
1122,6-difluorophenol0.40View
1132,3-dimethylphenol0.12View
1142,5-dimethylphenol0.01View
1153,4-dimethylphenol0.12View
1163,5-dimethylphenol0.11View
1173-chloro-4-fluorophenol0.84View
1182-chloro-5-methylphenol0.64View
1192-bromo-4-methylphenol0.79View
1202,5-dichlorophenol1.13View
1212,3-dichlorophenol1.27View
1224-chloro-2-methylphenol0.70View
1234-chloro-3-methylphenol0.80View
1243,5-dichlorophenol1.56View
1252,4-bromophenol1.40View
1263,4,5-trimethylphenol0.93View
1272,3,5-trimethylphenol0.36View
1282,4,6-trichlorophenol1.70View
1294-chloro-3,5-dimethylphenol1.20View
1304-bromo-2,6-dichlorophenol1.78View
1312,4,5-trichlorophenol2.10View
1324-bromo-6-chloro-2-methylphenol1.28View
1334-bromo-2,6-dimethylphenol1.28View
1342,4,6-tribromophenol2.05View
1352-(tert)butyl-4-methylphenol1.30View
1364-chloro-2-isopropyl-5-methylphenol1.86View
1376-(tert)butyl-2,4-dimethylphenol1.25View
1382,6-diphenylphenol2.11View
1392,6-di(tert)butyl-4-methylphenol1.79View
1402,4,6-triphenylphenolNTASView
1412,4,6-tri(tert)butylphenolNTASView
1422-methylaniline-0.55View
1432-ethylaniline-0.25View
1442-propylaniline0.06View
1452-isopropylaniline0.10View
1462-phenylaniline0.86View
1472-fluoroaniline-0.31View
1482-chloroaniline-0.09View
1492-bromoaniline0.46View
1502-iodoaniline0.35View
1513-methylaniline-0.43View
1523-ethylaniline-0.12View
1533-phenylaniline0.78View
1543-fluoroaniline0.04View
1553-chloroaniline0.09View
1563-bromoaniline0.52View
1573-iodoaniline0.61View
1584-methylaniline-0.02View
1594-ethylaniline0.04View
1604-propylaniline0.49View
1614-isopropylaniline0.21View
1624-butylaniline1.05View
1634-pentylaniline1.67View
1644-hexylaniline2.04View
1654-octylaniline2.34View
1664-decylanilineNTASView
1674-dodecylanilineNTASView
1684-phenylaniline0.95View
1694-tritylanilineNTASView
1702,4-dimethylaniline-0.30View
1712,5-dimethylaniline-0.35View
1722,6-dimethylaniline-0.43View
1733,4-dimethylaniline-0.29View
1743,5-dimethylaniline-0.37View
1752,3-dichloroaniline1.02View
1762,4-dichloroaniline0.56View
1772,5-dichloroaniline0.58View
1782,6-dichloroaniline0.33View
1793,4-dichloroaniline1.14View
1803,5-dichloroaniline0.71View
1812-chloro-4-methylaniline0.24View
1822-chloro-5-methylaniline0.20View
1832-chloro-6-methylaniline0.12View
1843-chloro-2-methylaniline0.45View
1853-chloro-4-methylaniline0.45View
1864-chloro-2-methylaniline0.35View
1875-chloro-2-methylaniline0.51View
1882,3,4-trichloroaniline1.35View
1892,4,5-trichloroaniline1.30View
1902,4,6-trichloroaniline1.01View
1913,4,5-trichloroaniline1.51View
1922,6-dichloro-3-methylaniline0.69View
1934-phenylazophenol1.66View
1942,4-dinitrophenol1.10View
1952,5-dinitrophenol0.93View
1962,6-dinitrophenol0.57View
1972,4-dinitro-1-naphthol1.59View
1982,6-dinitro-4-methylphenol1.23View
1994,6-dinitro-2-methylphenol1.33View
2002,6-dibromo-4-nitrophenol1.36View
2012,4-dichloro-6-nitrophenol1.75View
2022,6-diiodo-4-nitrophenol1.81View
2032,3,4,5-tetrachlorophenol2.00View
2042,3,5,6-tetrachlorophenol2.22View
2052,3,5,6-tetrafluorophenol1.17View
2063,4,5,6-tetrabromo-2-methylphenol2.57View
207pentabromophenol2.66View
208pentachlorophenol2.57View
209pentafluorophenol1.63View
2104-phenylazoaniline1.42View
2112,4-dinitroaniline0.72View
2122,6-dinitroaniline0.94View
2133,5-dinitroaniline0.94View
2142,6-dinitro-4-methylanilineNTASView
2152,6-dibromo-4-nitroanilineNTASView
2162,4-dichloro-6-nitroaniline1.17View
2172,6-dichloro-4-nitroanilineNTASView
2184,5-dichloro-2-nitroaniline1.71View
2194,5-difluoro-2-nitroaniline0.76View
2202,3,4,5-tetrachloroaniline1.96View
2212,3,5,6-tetrachloroaniline1.76View

Bibliography

  1. 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.