10967/80 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Lin, D.T.; Wesley, S.K. QSARs for monosubstituted phenols and the polar narcosis mechanism of toxicity. Quality Assur. Good Pract. Regul. Law 1992, 1, 2, 132–143.

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

IDNamepIGC50Details
1Phenol-0.431View
22-Methylphenol-0.274View
32-Ethylphenol0.176View
42-Allylphenol0.346View
52-Isopropylphenol0.803View
62-tert-Butylphenol1.239View
72-Phenylphenol1.094View
82-Fluorophenol0.284View
92-Chlorophenol0.277View
102-Bromophenol0.504View
112-Nitrophenol0.670View
122-Cyanophenol0.031View
132-Hydroxybenzaldehyde0.483View
142-Acetylphenol0.078View
152-Aminophenol0.941View
162-Hydroxyphenol0.752View
172-Carboxyphenol-0.618View
182-AcetoamidophenolNTASView
192-Hydroxybenzamide-0.242View
202-Hydroxybenzyl alcohol-0.953View
212-Hydroxybenzaldoxime-0.252View
223-Methylphenol-0.062View
233-Ethylphenol0.229View
243-Isopropylphenol0.609View
253-tert-Butylphenol0.730View
263-Phenylphenol1.351View
273-PentadecylphenolNTASView
283-Chlorophenol0.957View
293-Iodophenol1.118View
303-Nitrophenol0.506View
313-Cyanophenol-0.065View
323-Hydroxybenzaldehyde0.085View
333-Acetylphenol-0.381View
343-Carboxylphenol-0.828View
353-Aminophenol-0.544View
363-Hydroxyphenol-0.652View
373-Methoxyphenol-0.143View
383-Hydroxybenzyl alcohol-1.043View
39Methyl-3-hydroxybenzoate-0.046View
40Ethyl-3-hydroxybenzoate0.478View
414-Ethylphenol0.206View
424-Propylphenol0.635View
434-Isopropylphenol0.473View
444-sec-Butylphenol0.980View
454-tert-Butylphenol0.913View
464-tert-Pentylphenol1.233View
474-Cyclopentylphenol1.292View
484-Phenylphenol1.383View
494-Hydroxyphenylmethane1.195View
504-tert-Octylphenol2.092View
514-TritylphenolNTASView
52α,α,α-Trifluoro-p-cresol0.618View
534-Fluorophenol0.017View
544-Chlorophenol0.545View
553-Fluorophenol0.473View
564-Bromophenol0.681View
574-Iodophenol0.854View
584-Nitrophenol1.926View
594-Nitrosophenol0.654View
604-Cyanophenol0.516View
614-Hydroxybenzaldehyde0.266View
624-Acetylphenol-0.093View
634-Carboxylphenol-1.319View
644-Hydroxypropiophenone0.056View
654-Hydroxybenzophenone1.024View
664-Hydroxybenzylcyanide-0.384View
674-Aminophenol-0.076View
684-Hydroxyphenol0.473View
694-Methoxyphenol-0.143View
704-Ethoxyphenol0.013View
714-Butoxyphenol0.702View
724-Benzyloxyphenol1.038View
734-Hexyloxyphenol1.648View
744-Heptyloxyphenol2.033View
754-Acetamidophenol-0.819View
764-Hydroxybenzamide-0.780View
774-Hydroxybenzyl alcoholNTASView
784-Hydroxyphenethyl alcohol-0.828View
79Methyl-4-hydroxybenzoate0.084View
80Ethyl-4-hydroxybenzoate0.572View

Bibliography

  1. Schultz, T. W.; Lin, D. T.; Wesley, S. K. QSARs for monosubstituted phenols and the polar narcosis mechanism of toxicity. Quality Assur. Good Pract. Regul. Law 1992, 1, 132–143.

  2. Schultz, T. W. Aquatic toxicology of nitrogen heterocyclic molecules: Quantitative structure-activity relationships. In Aquatic Toxicology; Nriagu, J.O., Ed.; John Wiley & Sons; 1983.