10967/20 - QDB Compounds

QsarDB Repository

Cronin, M.T.D.; Schultz, T.W. Structure-toxicity relationships for phenols to Tetrahymena pyriformis. Chemosphere 1996, 32, 8, 1453–1468.

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

IDNamepIGC50Details
13-hydroxybenzaldehyde0.085View
2nonylphenol2.468View
32,4-dimethylphenol0.070View
44-bromophenol0.680View
54-cresol-0.184View
64-chlorophenol0.545View
73-cresol-0.063View
83-chlorophenol0.871View
93,5-dimethylphenol0.113View
10phenol-0.208View
112-chloro-4,5-dimethylphenol0.688View
123,5-di-tert-butylphenol1.638View
132,4,6-tribromophenol2.030View
142-hydroxyacetophenone0.078View
15ethyl-4-hydroxybenzoate0.573View
162,4-dichlorophenol1.036View
173-ethoxy-4-hydroxybenzaldehyde0.015View
183-methoxy-4-hydroxybenzaldehyde-0.030View
193-hydroxyacetophenone-0.381View
204-butoxyphenol0.701View
214-ethylphenol0.205View
224-hydroxybenzaldehyde0.266View
232,6-di-tert-butyl-4-methylphenol1.796View
244-heptyloxyphenol2.033View
25syringaldehyde0.168View
264-tert-octylphenol2.097View
274-chloro-3-ethylphenol1.081View
284-methylcyanophenol-0.384View
293-methoxysalicylaldehyde0.377View
303-methoxyphenol-0.326View
314-methoxyphenol-0.143View
324-cyclopentylphenol1.292View
334-chloro-2-methylphenol0.701View
342-allylphenol0.334View
356-tert-butyl-2,4-dimethylphenol1.157View
364-hexyloxyphenol1.638View
37methyl-3-hydroxybenzoate-0.046View
385-bromo-2-hydroxybenzylalcohol0.343View
394-bromo-2,6-dimethylphenol1.167View
402-tert-butyl-4-methylphenol1.301View
412,3,6-trimethylphenol0.277View
423-chloro-4-fluorophenol1.131View
432,6-difluorophenol0.471View
445-bromovanillin0.617View
452-hydroxy-4,5-dimethylacetophenone0.707View
462-fluorophenol0.185View
472,4-difluorophenol0.604View
484-fluorophenol0.017View
493-fluorophenol0.381View
502,6-dichloro-4-fluorophenol0.804View
51α,α,α-trifluoro-4-cresol0.618View
522,3,4,5-tetrachlorophenol2.712View
533,5-dimethoxyphenol-0.092View
544-hydroxyphenethylalcohol-0.826View
552,3-dimethylphenol0.122View
563,4,5-trimethylphenol0.932View
572,4,6-trimethylphenol0.281View
584-iodophenol0.854View
592,3-dichlorophenol1.276View
603,4,5,6-tetrabromo-2-methylphenol2.574View
612,5-dichlorophenol1.125View
623-tert-butylphenol0.730View
634-chloro-3-methylphenol0.796View
643-bromophenol1.145View
653,5-dichlorophenol1.569View
66pentabromophenol2.664View
672-cyanophenol0.034View
682,4-dibromophenol1.398View
692-chloro-5-methylphenol0.393View
703-isopropylphenol0.612View
714-hydroxybenzamide-0.780View
723-ethylphenol0.228View
733-hydroxybenzylalcohol-1.043View
743-hydroxy-4-methoxybenzaldehyde-0.141View
754-ethoxyphenol0.013View
763-iodophenol1.119View
774-propylphenol0.643View
782-hydroxybenzamide-0.242View
793-chloro-5-methoxyphenol0.757View
803-ethoxy-4-methoxyphenol-0.299View
812-bromo-4-methylphenol0.599View
822,3,5-trimethylphenol0.360View
834-bromo-2,6-dichlorophenol1.778View
844-hydroxypropiophenone0.053View
854-bromo-3,5-dimethylphenol1.268View
864-bromo-6-chloro-2-methylphenol1.276View
874-cyanophenol0.516View
882,3,5,6-tetrafluorophenol1.167View
89pentafluorophenol1.638View
90ethyl-3-hydroxybenzoate0.478View
914-tert-pentylphenol1.229View
922,6-dichlorophenol0.735View
93pentachlorophenol2.049View
943-cyanophenol-0.064View
954-chloro-3,5-dimethylphenol1.201View
962,4,6-trichlorophenol1.410View
972-tert-butylphenol1.295View
982-isopropylphenol0.798View
994-chloro-2-isopropyl-5-methylphenol1.854View
1002-ethylphenol0.160View
1012-hydroxybenzylalcohol-0.954View
1022-hydroxybenzaldehyde0.424View
1032-methoxyphenol-0.510View
1043,5-dibromosalicylaldehyde1.638View
1052,6-dimethoxyphenol-0.598View
1062,3,5-trichlorophenol2.373View
1072,3,5,6-tetrachlorophenol2.222View
1082-ethoxyphenol-0.358View
1092-methylphenol-0.295View
1102-bromophenol0.330View
1112-chlorophenol0.183View
1123,4-dimethylphenol0.122View
1133,4-dichlorophenol1.745View
1142,5-dimethylphenol0.081View
1152,4,5-trichlorophenol2.097View
1164-tert-butylphenol0.914View
1174-sec-butylphenol0.979View
118methyl-4-hydroxybenzoate0.084View
1194-isopropylphenol0.473View
1204-hydroxyacetophenone-0.302View
1214-amino-2-nitrophenol0.879View
1222-amino-4-tert-butylphenol0.366View
1232,4-diaminophenol 2HCl0.127View
1245-amino-2-methoxyphenol0.450View
1254-amino-2-cresol1.307View
1266-amino-2,4-dimethylphenol0.886View
1273-aminophenol-0.524View
1282-amino-4-chloro-5-nitrophenol1.174View
1292-hydroxybenzoic acid-0.512View
1302-aminophenol0.939View
1312-amino-4-chlorophenol0.775View
1323-amino-4-hydroxybenzenesulphonic acid-1.053View
1333-hydroxybenzoic acid-0.814View
1342-amino-4-nitrophenol0.475View
1354-hydroxybenzoic acid-1.021View
1364-nitrophenol1.420View
1374-acetamidophenol-0.820View
1384-nitrosophenol0.654View
1394-methyl-2-nitrophenol0.571View
1404-aminophenol-0.076View
1414-methyl-3-nitrophenol0.740View
1423-methyl-4-nitrophenol1.729View
1432-chloromethyl-4-nitrophenol0.750View
1442,6-diiodo-4-nitrophenol1.712View
1452,5-dinitrophenol0.950View
1465-hydroxy-2-nitrobenzaldehyde0.330View
1475-fluoro-2-nitrophenol1.125View
1482,4-dinitrophenol1.077View
1494,6-dinitro-2-methylphenol1.721View
1503-nitrophenol0.506View
1512,6-dinitrophenol0.539View
1523,4-dinitrophenol0.266View
1532,4-chloro-6-nitrophenol1.745View
1542,6-dinitro-4-methylphenol1.229View
1552,6-dichloro-4-nitrophenol0.632View
1562-chloro-4-nitrophenol1.585View
1573-acetamidophenol-0.155View
1582,3-dinitrophenol0.463View
1594-chloro-6-nitro-3-methylphenol1.638View
1602-nitrophenol0.670View
1612,4,6-trinitrophenol-0.155View
1624-chloro-2-nitrophenol2.053View
163salicylhydroxamic acid0.379View
164salicylhydrazide0.181View
165salicylaldoxime0.253View
1662,6-bromo-4-nitrophenol1.356View

Bibliography

  1. Cronin, M. T. D.; Schultz, T. W. Structure-toxicity relationships for phenols to Tetrahymena pyriformis. Chemosphere 1996, 32, 1453–1468. https://doi.org/10.1016/0045-6535(96)00054-9

  2. 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.