10967/19 - QDB Compounds

QsarDB Repository

Schultz, T.W. Structure-Toxicity Relationships for Benzenes Evaluated with Tetrahymena pyriformis. Chem. Res. Toxicol. 1999, 12, 12, 1262–1267.

220 compounds | Property pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

IDNamepIGC50Details
1benzyl alcohol-0.83View
2benzylamine-0.24View
3sec-phenethyl alcohol-0.66View
43-phenyl-1-propanol-0.21View
51-phenyl-2-butanol-0.16View
6methoxybenzene-0.10View
73-phenyl-1-butanol0.01View
8benzene-0.12View
94-ethylbenzyl alcohol0.07View
10(+/-)-2-phenyl-2-butanol0.06View
114-phenyl-1-butanol0.12View
12α,α-dimethylbenzenepropanol-0.07View
131-phenyl-1-butanol-0.01View
14ethoxybenzene0.10View
15methylbenzene0.25View
16thioanisole0.18View
175-phenyl-1-pentanol0.42View
184-methylanisole0.25View
191,1-diphenyl-2-propanol0.75View
204-biphenylmethanol0.92View
211,4-dimethylbenzene0.25View
22benzophenone0.87View
23(+/-)-1,2-diphenyl-2-propanol0.80View
246-phenyl-1-hexanol0.87View
25isopropylbenzene0.69View
26biphenyl1.05View
27n-butylbenzene1.25View
28n-amylbenzene1.79View
294-ethylbiphenyl1.97View
30aniline-0.23View
314-methylaniline-0.05View
323-methylaniline-0.28View
332-methylaniline-0.16View
342-ethylaniline-0.22View
352-phenyl-3-butyn-2-ol-0.18View
363-ethylaniline-0.03View
374-ethylaniline0.03View
384-butoxyaniline0.61View
392,6-diethylaniline0.31View
404-pentyloxyaniline0.97View
412,6-diisopropylaniline0.76View
424-butylaniline1.07View
434-methoxyphenol-0.14View
44benzaldehyde-0.20View
45phenol-0.35View
463-methoxyphenol-0.33View
473-ethoxy-4-hydroxybenzaldehyde0.02View
48acetophenone-0.05View
494-methylphenol-0.16View
502-methylphenol-0.29View
513-methylphenol-0.08View
52propiophenone0.05View
532,4-dimethylphenol0.14View
542-ethylphenol0.16View
554-ethylphenol0.21View
563-ethylphenol0.29View
572-allylphenol0.33View
582,3,6-trimethylphenol0.28View
592,4,6-trimethylphenol0.42View
60butyrophenone0.30View
613,4,5-trimethylphenol0.93View
622,3,5-trimethylphenol0.36View
634-isopropylbenzaldehyde0.67View
64valerophenone0.56View
654-propylphenol0.64View
66iodobenzene0.50View
674-tert-butylphenol0.91View
684-hexyloxyaniline1.38View
694-tert-pentylphenol1.23View
704-pentyloxybenzaldehyde1.18View
71heptanophenone1.56View
72octanophenone1.89View
73nonylphenol2.47View
741,3-dihydroxybenzene-0.65View
75thiobenzamide0.09View
764-chlorobenzamide0.16View
774-chloroaniline0.05View
782-chloroaniline-0.17View
793-chloroaniline0.22View
802-tolunitrile-0.24View
81benzyl chloride0.10View
822-chloro-4-methylaniline0.18View
834-chloroanisole0.60View
84olivetol1.31View
854-hexylresorcinol1.80View
86salicylaldehyde0.42View
872-hydroxy-4-methoxy-acetophenone0.55View
884-chlorophenol0.54View
89chlorobenzene-0.13View
90phenethyl bromide0.50View
914-chloro-3-methylphenol0.80View
924-chlorobenzophenone1.50View
932-amino-5-chlorobenzonitrile0.44View
945-bromovanillin0.62View
953-chlorophenol0.87View
963-chloro-5-methoxyphenol0.76View
973,4-dichloroaniline0.56View
982,5-dichloroaniline0.58View
993,5-dichloroaniine0.71View
100bromobenzene0.75View
1012,4-dichlorophenol1.04View
1024-chloro-3,5-dimethylphenol1.20View
1034-bromotoluene1.00View
1043,4-dichlorotoluene1.07View
1051-bromo-4-ethylbenzene1.10View
1063-nitroaniline0.03View
107nitrobenzene0.14View
1083-nitroanisole0.72View
1092-nitrotoluene0.26View
1104-nitrotoluene0.65View
1114-ethoxy-2-nitroaniline0.76View
1123-nitrotoluene0.42View
113α,α,α-4-tetrafluoro-m-toluidine0.77View
1144-nitrophenetole0.83View
1151,2-dimethyl-3-nitrobenzene0.56View
1161,2-dimethyl-4-nitrobenzene0.59View
1171,2-dichlorobenzene1.00View
1183,5-dichlorophenol1.56View
1192,4,5-trichloroaniline1.30View
1201,4-dibromobenzene0.68View
1215-hydroxy-2-nitrobenzaldehyde0.33View
1222-nitrophenol0.67View
1232-nitroaniline0.08View
1242-chloro-4-nitroaniline0.75View
1254-chlorobenzaldehyde0.40View
126pentafluorobenzaldehyde0.82View
1272,4,6-trichlorophenol1.41View
1282,4,5-trichlorophenol2.10View
1291,2,4-trichlorobenzene1.10View
1302,4,6-tribromophenol1.91View
1311,3,5-trichlorobenzene0.87View
132pentafluoroaniline0.26View
1331-fluoro-4-nitrobenzene0.10View
1341-chloro-3-nitrobenzene0.73View
1354-chloro-2-nitrotoluene0.82View
1362-chloro-6-nitrotoluene0.68View
1372,3,5,6-tetrachloroaniline1.76View
1382,3,4,5-tetrachloroaniline1.96View
1391,2,4,5-tetrachlorobenzene2.00View
1404,5-dichloro-2-nitroaniline1.66View
141phenyl isothiocyanate1.41View
1422,4-dichloro-6-nitroaniline1.26View
1433,5-dibromosalicylaldehyde1.65View
1442,3,4,6-tetrachlorophenol2.18View
1452,3,4,5-tetrachlorophenol2.72View
146pentachloronitrobenzeneNTASView
147pentachlorobenzeneNTASView
148pentachloroanisoleNTASView
1492-chloro-5-nitrobenzaldehyde0.53View
1501-chloro-4-nitrobenzene0.43View
1514-chloro-3-nitrophenol1.27View
1521-bromo-2-nitrobenzene0.75View
1531-chloro-2-nitrobenzene0.68View
1541-bromo-3-nitrobenzene1.03View
1553-(trifluoromethyl)-4-nitrophenol1.65View
1561-fluoro-3-iodo-5-nitrobenzene1.09View
1572-bromo-1-methyl-5-nitrobenzene1.16View
1583,4,5,6-tetrabromo-2-methylphenol2.57View
159pentachlorophenol2.07View
1603-nitrobenzonitrile0.45View
1611,3-dinitrobenzene0.76View
1621,2-dinitrobenzene1.25View
1631-methyl-2,4-dinitrobenzene0.87View
1642,5-dichloro-1-nitrobenzene1.13View
1652,3-dichloro-1-nitrobenzene1.07View
1662,4-dichloro-1-nitrobenzene0.99View
1673,5-dichloro-1-nitrobenzene1.13View
1683,4-dichloro-1-nitrobenzene1.16View
169pentabromophenol2.66View
1702,4-dinitroaniline0.72View
1712,6-dinitroaniline0.84View
1723-chloro-4-fluoro-1-nitrobenzene0.80View
1733,4-dinitrobenzyl alcohol1.09View
1741,4-dinitrobenzene1.30View
1756-chloro-2,4-dinitroaniline1.12View
1762-bromo-4,6-dinitroaniline1.24View
1771,2,4-trichloro-5-nitrobenzene1.53View
1781,2,3-trichloro-4-nitrobenzene1.51View
1791,3,5-trichloro-2-nitrobenzene1.43View
1802,6-dinitrophenol0.83View
1812,4-dinitrophenol1.06View
1822,5-dinitrophenol1.04View
1834,6-dinitro-2-methylphenol1.73View
1844-tert-butyl-2,6-dinitrophenol1.80View
1851,2,3-trifluoro-4-nitrobenzene1.89View
1862,3,4,5-tetrachloronitrobenzene1.78View
1872,3,5,6-tetrachloronitrobenzene1.82View
1881,5-difluoro-2,4-dinitrobenzene2.08View
1892,3,4,6-tetrafluoronitrobenzene1.87View
1901-iodo-2,4-dinitrobenzene2.12View
1911-fluoro-2,4-dinitrobenzene1.71View
192pentafluoronitrobenzene2.43View
1931-bromo-2,4-dinitrobenzene2.31View
1941,2-dichloro-4,5-dinitrobenzene2.21View
1951,5-dichloro-2,3-dinitrobenzene2.42View
1961-chloro-2,4-dinitrobenzene2.16View
1971,3,5-trichloro-2,4-dinitrobenzene2.19View
1981,3-dinitro-2,4,5-trichlorobenzene2.60View
1994-chloro-3,5-dinitrobenzonitrile2.66View
2001,4-dinitrotetrachlorobenzene2.82View
2014-ethylbenzyl alcohol0.07View
2023-aminobenzyl alcohol-1.13View
2033,4-dimethylaniline-0.16View
2044-isopropylaniline0.22View
2054-hydroxyphenethyl alcohol-0.83View
2064-hydroxypropiophenone0.05View
2074-tert-pentylphenol1.23View
2082-(4-chlorophenyl)ethylamine0.14View
209vanillin-0.03View
2104-iodophenol0.85View
2114-bromobenzophenone1.26View
2124-methyl-2-nitroaniline0.37View
2134-bromo-6-chloro-2-methylphenol1.28View
2142,4-dibromophenol1.40View
2154-bromo-2,6-dichlorophenol1.78View
216pentafluorophenol1.63View
2174-nitrobenzyl chloride1.18View
2184-chloro-6-nitro-3-methylphenol1.63View
2192,6-diiodo-4-nitrophenol1.81View
2202,4-dichloro-6-nitrophenol1.75View

Bibliography

  1. Schultz, T. W. Structure-Toxicity Relationships for Benzenes Evaluated with Tetrahymena pyriformis. Chem. Res. Toxicol. 1999, 12, 1262–1267. http://dx.doi.org/10.1021/tx9900730

  2. Schultz, T. W. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint - a surrogate for fish lethality. Toxicol. Mech. Meth. 1997, 7, 289–309. http://dx.doi.org/10.1080/105172397243079