10967/79 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Sinks, G.D.; Bearden, A.P. QSAR in Aquatic Toxicology: A Mechanism of Action Approach Comparing Toxic Potency to Pimephales promelas, Tetrahymena pyriformis, and Vibrio fisheri. In Comparative QSAR; Devillers, J., Ed.; Taylor & Francis; 1998.

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

IDNamepIGC50Details
14-Methylpyridine (4-picoline)-0.88View
24-Chloropyridine HCl-0.86View
33-Methylpyridine (3-picoline)-0.99View
42-Chloropyridine-0.84View
5Pyrazine-1.88View
6Pyrrole-1.09View
72,3-Benzofuran-0.11View
81-Benzothiophene (thianaphthene)0.26View
93-Toluic acid0.12View
10Benzyl alcohol-0.83View
11Naphthalene0.33View
121-Methylnaphthalene0.74View
131-Naphthoic acid0.40View
141-Naphthylacetic acid0.14View
152-Tolunitrile-0.24View
16Biphenyl1.05View
174-Phenyltoluene (4-methylbiphenyl)1.66View
184-Biphenylcarboxylic acid0.98View
194-Biphenylacetic acid0.79View
20Benzonitrile-0.53View
214-Chlorobenzonitrile0.00View
22Diethyl malonate-1.03View
23Iodobenzene0.36View
24Anisole-0.22View
25Benzophenone0.87View
26Phenethyl alcohol-0.72View
27Phenylacetylene-0.14View
28Phenethole-0.14View
29Thioanisole0.18View
30Methyl-4-chlorobenzoate0.42View
311-Heptanol0.10View
32Hexyl alcohol-0.38View
332-Octanone-0.15View
342-Propanol (isopropanol)-1.88View
352-Butanone-1.75View
363-Pentanone-1.46View
371-Butanol-1.43View
381-Pentanol-1.03View
392-Decanone0.58View
40Decyl alcohol1.33View
411-Dodecanol2.16View
421-Nonanol0.86View
431-Octanol0.58View
44Acetone-2.15View
45Methyl alcohol-2.65View
46Ethyl alcohol-2.31View
471-Propanol-1.75View
48Methyl benzoate-0.23View
49Ethyl benzoate0.01View
50Propyl benzoate0.42View
51Butyl benzoate0.92View
52Benzyl benzoate1.45View
53Methyl-4-methylbenzoate0.23View
54Acetophenone-0.46View
55Propiophenone-0.07View
56Butyrophenone0.21View
57(2-Bromoethyl)benzene0.42View
58Benzyl chloride (α-chlorotoluene)0.06View
59Benzyl bromide (α-bromotoluene)0.64View
60N,N-Diethylaniline0.66View
61N-Ethylaniline0.02View
62N,N-Dimethylethylamine-0.91View
633-Methyl-2-butanol-1.00View
64tert-Amylalcohol-1.17View
652-Pentanol-1.16View
662-Methyl-1-butanol-0.95View
673-Pentanol-1.24View
683-Methyl-1-butanol-1.04View
692,2-Dimethyl-1-propanol-0.87View
70Methyl acetate-1.60View
71Ethyl acetate-1.30View
72Propyl acetate-1.24View
73Butyl acetate-0.49View
74(+/-)-sec-Butyl acetate-0.68View
75Ethyl propionate-0.95View
76sec-Phenethyl alcohol-0.82View
773-Phenyl-1-propanol-0.27View
784-Phenyl-1-butanol-0.13View
79Methyl propionate-1.61View
80Propyl formate-1.46View
81Methyl butyrate-1.25View
822-Nonanone0.66View
835-Methyl-2-hexanone-0.65View
842-Heptanone-0.49View
852-Undecanone1.50View
863-M-'hyl-2-butanone-1.17View
874-Methyl-2-pentanone-1.21View
882-Hexanone-1.34View
89Methyl-4-bromobenzoate0.65View
90(+)-2-Butanol-1.54View
912-Methyl-1-propanol-1.37View
922-Methyl-2-propanol-1.79View
93Cyclohexanol-0.77View
942-Octanol0.001View
95N,N-Dimethyl-1-naphthylamine0.86View
961-Phenyl-2-propanol-0.62View
97Dibenzofuran1.42View
981-Nitrobutane-0.69View
991-Nitrohexane0.04View
1001-Nitropropane-0.99View
1011-Nitropentane-0.31View
102Methyl nonanoate1.04View
103Cetyl cyanide (nonanenitrile)0.62View
104Butyronitrile-1.44View
105Acetonitrile-2.28View
106Hexanitrile-0.38View
107Methylphenyl acetate-0.40View
108Methyl valerate-0.84View
109Methyl decanoate1.38View
110Propionitrile-1.97View
111Heptyl cyanide (octanenitrile)0.28View
112Valeronitrile-1.01View
1134-Phenylbutyronitrile0.15View
114Trimethylacetonitrile-1.33View
115Isovaleronitrile-0.88View
1162-Methylpropionitrile-1.62View
117Dimethyl phthalate-0.54View
118Diethyl phthalate0.10View
119Allylcyanide (3-butenenitrile)-1.48View
120γ-Decanolactone0.49View
1214-Methylvaleronitrile-0.79View
122p-Toluic acid-0.22View
1233,5-Dichloroanisole0.93View
1242-Chloroanisole0.22View
1253-Chloroanisole0.29View
126Diethyl succinate-0.85View
127Dibutyl phthalate1.60View
128Dipropyl phthaiate0.98View
129Dimethyl sulfoxide-2.49View
130Methacrylonitrile-1.65View
1312,5-Dihydroxybenzoic acid-0.68View
1321,2,4-Trichlorobenzene1.08View
133Cumene (isopropyl benzene)0.69View
1341,2,4-Trimethylbenzene0.78View
135n-Butylbenzene1.25View
136n-Amylbenzene1.79View
1373,4-Dichlorotoluene1.07View
1381,2-Dichlorobenzene0.53View
139Propionamide-2.09View
1402-Methylnaphthalene1.08View
1411,4-Dimethylnaphthalene1.43View
142Benzothiazole-0.03View
143Bromobenzene0.08View
144Hexanoic acid-0.21View
145Quinoline0.09View
146Ethyl carbamate-1.65View
147Benzamide-0.91View
1482-Pentanone-1.44View
1492,4-Dimethylphenol0.07View
150p-cresol (4-methylphenol)-0.18View
151m-cresol (3-methylphenol)-0.06View
1523,5-Dimethylphenol0.12View
153Phenol-0.21View
1544-Butoxyphenol0.70View
1554-Ethylphenol0.21View
1563-Methoxyphenol-0.33View
1574-Methoxyphenol-0.14View
1582-Allylphenol0.33View
1592,3,6-Trimethylphenol0.28View
1602-Hydroxy-4,5-dimethylacetophenone0.71View
1613,5-Dimethoxyphenol-0.09View
1624-Hydroxyphenethyl alcohol-0.83View
1632,3-Dimethylphenol0.12View
1643,4,5-Trimethylphenol0.93View
1652,4,6-Trimethylphenol0.28View
1663-tert-Butylphenol0.73View
1673-Isopropylphenol0.61View
1683-Ethylphenol0.23View
1693-Hydroxybenzyl alcohol-1.04View
1704-Ethoxyphenol0.01View
1714-Propylphenol0.64View
1723-Ethoxy-4-methoxyphenol-0.30View
1732,3,5-Trimethylphenol0.36View
1742-tert-butylphenol1.30View
1752-Isopropylphenol0.80View
1762-Ethylphenol0.16View
1772-Hydroxybenzyl alcohol (salicyl alcohol)-0.95View
1782-Methoxyphenol (guaiacol)-0.51View
1792,6-Dimethoxyphenol-0.60View
1802-Ethoxyphenol-0.36View
181a-cresol (2-methylphenol)-0.30View
1823,4-Dimethylphenol0.12View
1832,5-Dimethylphenol0.08View
1844-tert-Butylphenol0.91View
1854-sec-Butylphenol0.98View
1864-Isopropylphenol0.47View
1874-Hydroxy-3-methoxyphenethyl alcohol-0.18View
1883-Hydroxy-4-methoxybenzyl alcohol-0.99View
1894-Hydroxy-3-methoxybenzyl alcohol-0.70View
1904-Hydroxy-3-methoxybenzylamine-HCl-0.97View
1912,4,6-tris(Dimethylaminomethyl)phenol-0.52View
1924-Allyl-2-methoxyphenol0.42View
193Resorcinol-0.65View
1941,3,5-Trihydroxybenzene-1.26View
1954-Hexylresorcinol1.80View
1965-Methylresorcinol-0.39View
1975-Pentylresorcinol1.31View
1984-Benzyloxyphenol1.04View
1994-Chloro-2-methylphenol0.70View
2004-Chloro-3-methylphenol0.80View
2014-Chloro-3,5-dimethylphenol1.20View
2024-Bromophenol0.68View
2034-Chlorophenol0.55View
2043-Chlorophenol0.87View
2052-Chloro-4,5-dimethylphenol0.69View
2064-Hydroxybenzyl cyanide (4-methylcyanophenol)-0.38View
2072-Fluorophenol0.19View
2084-Fluorophenol0.02View
2093-Fluorophenol0.38View
2104-Iodophenol0.85View
2113-Bromophenol1.15View
2122-Chloro-5-methylphenol0.40View
2133-Iodophenol1.12View
2143-Chloro-5-methoxyphenol0.76View
2152-Bromo-4-methylphenol0.60View
2162-Bromophenol0.33View
2172-Chlorophenol0.18View
218Ethyl-4-hydroxy-3-methoxyphenyl acetate-0.23View
2192-Methoxy-4-propenylphenol0.75View
2204-Chlororesorcinol0.13View
2212-Phenylphenol1.09View
2224-Phenylphenol1.39View
2235-Bromo-2-hydroxybenzyl alcohol0.34View
2242-Hydroxyacetophenone0.08View
225Ethyl-4-hydroxybenzoate0.57View
2262,4-Dichlorophenol1.04View
2273-Hydroxyacetophenone-0.38View
228Methyl-3-hydroxy benzoate-0.05View
2293-Chloro-4-fluorophenol1.13View
2302,6-Difluorophenol0.47View
2315-Bromovanillin0.62View
2322,4-Difluorophenol0.60View
2332,6-Dichloro-4-fluorophenol0.80View
234α,α,α-Trifluoro-p-cresol0.62View
2352,3-Dichlorophenol1.28View
2362,5-Dichlorophenol1.13View
2373,5-Dichlorophenol1.57View
2382,4,5-Trichlorophenol2.10View
2392,4-Dibromophenol1.40View
240Salicylamide (2-hydroxybenzamide)-0.24View
2414-Hydroxypropiophenone0.05View
242Ethyl-3-hydroxybenzoate0.48View
2432,6-Dichlorophenol0.74View
2443-Cyanophenol-0.06View
2452,4,6-Trichlorophenol1.41View
2463,4-Dichlorophenol1.75View
247Methyl-4-hydroxybenzoate0.08View
2484-Hydroxyacetophenone (4-acetylphenol)-0.30View
2494-Hydroxy-3-methoxyacetophenone-0.12View
2502-Hydroxy-4-methoxyacetophenone0.55View
2515-Fluoro-2-hydroxyacetophenone0.04View
2522-Hydroxy-5-methylacetophenone0.31View
2534-Hydroxy-3-methoxybenzonitrile-0.03View
2544-Hydroxy-2-methylacetophenone0.19View
255Methyl-4-methoxysalicylate0.62View
2562-Hydroxyethylsalicylate-0.08View
2574,6-Dichlororesorcinol0.97View
2584-Hydroxybenzophenone1.02View
2593-Phenylphenol1.35View
2621-Naphthol0.75View
2634-tert-Pentylphenol1.23View
2644-Phenoxyphenol1.36View
2652,4,6-Tribromophenol2.03View
2662,3,5-Trichlorophenol2.37View
267Nonylphenol2.47View
268Aniline0.12View
2694-Methylaniline-0.05View
2704-Ethylaniline0.05View
2714-Isopropylaniline0.22View
2724-Acetylaniline-0.47View
2734-Benzoylaniline0.68View
2744-Aminobenzyl cyanide-0.76View
2754-Methoxyaniline-0.07View
2764-Aminobenzamide-0.59View
2774-Aminobiphenyl0.84View
2784-tert-butylaniline0.36View
2792-Methylaniline-0.16View
2803-Methylaniline-0.28View
2812-Chloroaniline-0.17View
2823-Chloroaniline0.22View
2833-Nitroaniline0.03View
2843-Cyanoaniline-0.47View
2853-Aminophenol-0.54View
2862-Aminobenzyl alcohol-1.07View
2873-Aminobenzyl alcohol-1.13View
2882-Aminobiphenyl0.86View
2893-Aminobiphenyl0.78View
2903,4-Dimethylaniline-0.29View
2911-Aminonaphthalene0.22View
2922-Ethylaniline-0.25View
2933-Ethylaniline-0.11View
294Ethyl-4-aminobenzoate0.61View
2952-Propylaniline0.08View
2962-Isopropylaniline0.12View
2972-Chloro-4-methylaniline0.18View
2983-Benzyloxyaniline0.88View
2992,6-Diisopropylaniline0.76View
3004-Butylaniline1.07View
3014-Hexyloxyaniline1.38View
3023-Iodoaniline0.56View
3032-Iodoaniline0.35View
3042-Bromoaniline0.46View
3053-Bromoaniline0.46View
3062-Fluoroaniline-0.37View
3073-Fluoroaniline-0.10View
3084-Propylaniline0.53View
3094-Octylaniline2.43View
3104-Butoxyaniline0.61View
3114-Phenoxyaniline0.98View
3124-Pentyloxyaniline0.97View
3134-Hexylaniline2.03View
3142-Methoxyaniline0.53View
3153-Methoxyaniline0.49View
3173-Amino-2-cresol-0.55View
318Methyl-4-aminobenzoate0.46View
3192-Chloro-5-methylaniline0.20View
3203-Chloro-4-methylaniline0.38View
3212,6-Dichloroaniline0.33View
3222,6-Dimethylaniline-0.43View
3233-Chloro-2-methylaniline0.38View
3242,3-Dichloroaniline1.39View
3253,5-Dimethylaniline-0.36View
3262,5-Dimethylaniline-0.33View
3272,4-Dimethylaniline-0.33View
3283,5-Dichloroaniline0.71View
3292,3-Dimethylaniline-0.43View
3302,5-Dichloroaniline0.58View
3312-Chloro-6-methylaniline0.06View
3325-Chloro-2-methylaniline0.50View
3332,4,6-Trimethylaniline-0.05View
3342,6-Diethylaniline0.31View
3352,6-Dichloro-3-methylaniline0.69View
3364-Pentylaniline1.71View
3372-Chloro-5-methylaniline0.50View
3384-sec-Butylaniline0.61View
3394-Cyclohexylaniline1.09View
340Ethyl-2-aminobenzoate0.33View
341Ethyl-3-aminobenzoate-0.12View
3421,3-Phenylenediamine-0.58View
3444-Ethoxy-2-nitroaniline0.76View
353n-Butylamine-0.57View
354Phenethylamine0.12View
358Benzylamine-0.24View
3604-Chlorobenzylamine0.16View
363n-Hexylamine-0.22View
3672-(p-Tolyl)ethylamine-0.04View
368Propylamine-0.71View
369(+/-)-sec-Butylamine-0.67View
370Amylamine-0.48View
371Heptylamine0.21View
372Oetylamine0.61View
373Nonylamine1.70View
374Decylamine2.06View
375Undecylamine2.33View
3781-Naphthalenemethylamine0.44View
379β-Methylphenethylamine-0.28View
3801-Phenylethylamine-0.18View
3813-Phenyl-1-propylamine0.28View
3824-Phenyl-1-butylamine0.62View
383Isopropylamine-0.88View
384Isoamylamine-0.58View
3851-Methylbutylamine-0.68View
3861-Ethylpropylamine-0.81View
3872-Methylbutylamine-0.48View
388tert-Butylamine-0.90View
389Isobutylamine-0.26View
390tert-Amylamine-0.70View
391(+/-)-1-(1-Naphthyl)ethylamine0.54View
397N-Ethylbenzylamine0.22View
401Phenyl acetate-0.226View
402Methyl acetate-2.001View
403Ethyl acetate-1.297View
404Propyl acetate-1.238View
405Butyl acetate-0.486View
406Hexyl acetate-0.008View
407Ethyl benzoate0.013View
408Ethyl hexanoate0.064View
409Diethyl malonate-1.029View
410Dimethyl malonate-1.287View
411Diethyl sebacate1.353View
412Diethyl adipate-0.243View
413Dibutyl adipate0.791View
4141-Naphthyl acetate0.64View
415Methylphenyl acetate-0.402View
416Methyl propionate-1.616View
417Methyl octanoate0.536View
418Methyl benzoate-0.234View
419Ethyl-2-methyl butyrate-0.889View
420Decyl acetate1.887View
421Diethyl suberate0.703View
422Diethyl succinate-0.851View
423Ethyl propionate-0.945View
424Ethyl butyrate-0.49View
425Phenyl benzoate1.348View
4262,4-Dinitrophenol1.10View
4272,4-Dinitroaniline0.53View
4283,5-Dinitroaniline0.94View
4294,6-Dinitro-2-methylphenol1.73View
4302,6-Dinitro-4-methylphenol1.23View
4334,5-Dichloro-2-nitroaniline1.66View
4342,4-Dichloro-6-nitroaniline1.26View
4352,3,5,6-Tetrachlorophenol2.22View
4372,3,5,6-Tetrachloroaniline1.79View
4382,3,4,5-Tetrachloroaniline1.96View
439Pentachlorophenol2.07View
440Pentabromophenol2.66View
4412,5-Dinitrophenol0.95View
4422,6-Dinitrophenol0.54View
4432,4-Dinitro-1-naphthol1.89View
4442,6-Dibromo-4-nitrophenol1.36View
4452,3,4,5-Tetrachlorophenol2.22View
4462,6-Dinitroaniline0.84View
4472,4-Dichloro-6-nitrophenol1.75View
452Propionaldehyde-0.75View
453Butyraldehyde-0.48View
454Valeraldehyde-0.11View
455Hexylaldehyde-0.25View
456Heptylaldehyde-0.09View
457Octylaldehyde0.36View
458Nonylaldehyde0.73View
459Decylaldehyde1.20View
460Undecylaldehyde1.61View
461Dodecylaldehyde1.68View
463Isobutyraldehyde-0.53View
4642-Methylbutyraldehyde-0.41View
4652-Ethylbutyraldehyde-0.14View
466Isovaleraldehyde-0.42View
468Nitrobenzene0.35View
4692-Methyl-1-nitrobenzene0.48View
4703-Methyl-1-nitrobenzene0.57View
4714-Methyl-1-nitrobenzene0.80View
4722,3-Dimethyl-1-nitrobenzene0.56View
4733,4-Dimethyl-1-nitrobenzene0.59View
4742-Chloro-1-nitrobenzene0.68View
4753-Chloro-1-nitrobenzene0.84View
4764-Chloro-1-nitrobenzene0.56View
4772,3-Dichloro-1-nitrobenzene1.07View
4782,4-Dichloro-1-nitrobenzene0.99View
4792,5-Dichloro-1-nitrobenzene1.13View
4803,5-Dichloro-1-nitrobenzene1.13View
4812-Chloro-6-nitrobenzene0.68View
4824-Chloro-2-nitrotoluene0.82View
4832,4-dinitrotoluene0.64View
4852,4,5-Trichloronitrobenzene1.53View
4862,3,4-Trichloronitrobenzene1.51View
4872,3,4,5-Tetrachloronitrobenzene1.79View
4881,3-Dinitrobenzene0.76View
4901,4-Dinitrobenzene1.30View
4921-Chloro-2,4-dinitrobenzene1.98View
493Acetanilide-0.62View
494Benzaldehyde-0.01View
495Benzoic hydrazine-0.52View
496Phenyl isothiocyanate1.41View
497Benzyl isothiocyanate2.74View
498Benzyl thiocyanate1.05View
499Benzoyl cyanide0.31View
500Thiobenzamide0.09View
5011-Phenyl-2-thiourea0.61View
5024-Nitrobenzyl chloride1.18View
5034-Vinyl pyridine1.07View
5042-Methyl-1,4-naphthoquinone1.54View
505Benzoquinone2.33View
506Ethyl vinyl ketone1.53View
507Acrolein1.41View
508Butyl acrylate0.52View
509Butyl methacrylate-0.27View
5132-Propyn-1-ol1.08View
5142-Butyn-1-ol-1.04View
5152-Butyn-1,4-diol-1.19View
5163-Butyn-1-ol-1.84View
5174-Pentyn-2-ol-1.63View
518trans-2-Hexen-1-ol-0.47View
519cis-2-Penten-1-ol-1.13View
5204-Penten-1-ol-1.25View
5212-Pentyn-1-ol-0.57View
5223-Pentyn-1-ol-1.36View
5234-Hexen-1-ol-0.75View
5245-Hexen-1-ol-0.85View
5252-Hexyn-1-ol-0.38View
5263-Hexyn-1-ol-1.03View
5275-Hexyn-1-ol-1.25View
5282-Heptyn-1-ol-0.19View
5292-Octyn-1-ol0.19View
5302-Nonyn-1-ol0.66View
5313-Hexyne-2,5-diol-0.46View
5322-Propen-1-ol-1.92View
5332-Buten-1-ol-1.47View
5343-Octyn-1-ol-0.05View
5353-Nonyn-1-ol0.34View
536cis-3-Hexen-1-ol-0.81View

Bibliography

  1. Schultz, T. W.; Sinks, G. D.; Bearden, A. P. QSAR in Aquatic Toxicology: A Mechanism of Action Approach Comparing Toxic Potency to Pimephales promelas, Tetrahymena pyriformis, and Vibrio fisheri. In Comparative QSAR; Devillers, J., Ed.; Taylor & Francis; 1998.

  2. Schultz, T. W. Tetrahymena in aquatic toxicology: QSARs and ecological hazard assessment. In Proceedings of the International Workshop on a Protozoan Test Protocol with Tetrahymena in Aquatic Toxicity Testing; Pauli, W.; Berger, S., Eds.; German Federal Environmental Agency; 1996.