10967/41 - QDB Compounds

QsarDB Repository

Bearden, A.P.; Schultz, T.W. Structure-Activity Relationships for Pimephales and Tetrahymena: a Mechanism of Action Approach. Environ. Toxicol. Chem. 1997, 16, 6, 1311–1317.

93 compounds | Property pIGC50: 2-day Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

IDNamepIGC50Details
1Phenol-0.32View
2o-Cresol-0.29View
3p-Cresol-0.16View
42,4-Dimethylphenol0.14View
52,4,6-Trimethylphenol0.42View
62,3,6-Trimethylphenol0.28View
74-Ethylphenol0.21View
84-Propylphenol0.64View
92-Methyl-3-butyn-2-ol-1.49View
102-Allylphenol0.33View
114-Tert-butylphenol0.91View
124-Tert-pentylphenol1.23View
134-Phenylphenol1.38View
14Catechol0.28View
15Resorcinol-0.65View
163-Methoxyphenol-0.33View
174-Methoxyphenol-0.14View
184-Phenoxyphenol1.36View
192-Chlorophenol0.18View
204-Chlorophenol0.54View
214-Chloro-3-methylphenol0.80View
224-Chlorocatechol1.06View
232,4-Dichlorophenol1.04View
242,4,6-Trichlorophenol1.41View
252,3,4,6-Tetrachlorophenol2.21View
262,3,4,5-Tetrachlorophenol2.72View
27Tetrachlorocatechol1.70View
282,4,6-Tribromophenol2.03View
292-Nitrophenol0.67View
302,6-Dinitrophenol0.54View
312,5-Dinitrophenol0.95View
322,4-Dinitrophenol1.10View
33(Tert)butyldinitrophenol1.80View
344,6-Dinitro-o-cresol1.73View
35Aniline-0.23View
364-Toluidine-0.05View
374-Ethylaniline0.05View
384-Butylaniline1.07View
393-Benzyloxyaniline0.88View
404-Hexyloxyaniline1.38View
412-Chloroaniline-0.25View
422,3,4-Trichloroaniline1.35View
432,3,5,6-Tetrachloroaniline1.79View
442,3,4,5,6-Pentafluoroaniline0.20View
45α,α,α-4-Tetrafluoro-3-toluidine0.77View
46α,α,α-4-Tetrafluoro-2-toluidine-0.02View
474-Ethoxy-2-nitroaniline0.76View
48Isopropylbenzene0.69View
491,2,4-Trimethylbenzene0.78View
50Butylbenzene1.25View
51Amylbenzene1.79View
52Biphenyl1.05View
53Chlorobenzene0.13View
541,2-Dichlorobenzene1.97View
551,2,4-Trichlorobenzene1.08View
561,2,4,5-TetrachlorobenzeneNTASView
573,4-Dichlorotoluene1.22View
58Pentachloropyridine1.71View
59Bromobenzene0.08View
60Nitrobenzene0.14View
613-Nitrotoluene0.42View
621-Fluoro-4-nitrobenzene0.10View
631-Chloro-3-nitrobenzene0.73View
641-Chloro-2-nitrobenzene0.63View
651,4-Dinitrobenzene1.30View
662,4-Dinitrotoluene0.64View
671,3-Dichloro-4,6-dinitrobenzene2.60View
681,3,5-Trichloro-2,4-dinitrobenzene2.19View
692-Butyn-1-ol-1.43View
70Cis-3-hexen-1-ol-0.81View
711-Hexen-3-ol-0.81View
724-Pentyn-2-ol-1.63View
732-Phenyl-3-butyn-2-ol-0.18View
742-Propyn-1-ol-0.74View
753-Butyn-2-ol-0.40View
762-Decyn-1-ol0.98View
773-Butyn-1-ol-1.84View
782-Butyn-1,4-diol-1.19View
794-Chloroaniline1.36View
804-Bromoaniline1.01View
814-Fluoroaniline0.59View
824-Nitroaniline1.12View
83Pentachlorophenol2.06View
844-Nonylphenol2.47View
85Pentabromophenol2.66View
863,4-Dichloroaniline1.37View
874-Octylaniline2.43View
884-DecylanilineNTASView
892,4,6-Tri(tert)butylphenol0.36View
902,6-Di(tert)butyl-4-methylphenol1.80View
91PentachloroanisoleNTASView
92PentachlorobenzeneNTASView
934-Nitrophenol1.42View

Bibliography

  1. Bearden, A. P.; Schultz, T. W. Structure-Activity Relationships for Pimephales and Tetrahymena: a Mechanism of Action Approach. Environ. Toxicol. Chem. 1997, 16, 1311–1317. http://dx.doi.org/10.1002/etc.5620160629