10967/171 - QDB Compounds

QsarDB Repository

Gramatica, P.; Pilutti, P.; Papa, E. Approaches for externally validated QSAR modelling of Nitrated Polycyclic Aromatic Hydrocarbon mutagenicity. SAR QSAR Environ. Res. 2007, 18, 169–178.

48 compounds | Property logTA100exp: Mutagenicity potency in TA100 without the S9 activation system [log(revertants/nmol)]

IDNamelogTA100expDetails
11,3,6-Trinitropyrene3.87View
22,4,7-Trinitro-9-fluorenone2.27View
31,3-Dinitropyrene4.63View
41,6-Dinitropyrene4.09View
51,8-Dinitropyrene4.74View
62,7-Dinitro-9-fluorenone2.69View
71-Nitrofluoranthene3View
82-Nitroanthracene3.05View
92,7-Dinitrofluorene1.27View
103-Nitrofluoranthene3.31View
118-Nitrofluoranthene2.6View
121-Nitropyrene2.17View
137-Nitrofluoranthene2.09View
142-Nitronaphthalene0.37View
152-Nitrofluorene1.08View
162-Nitrophenanthrene1.79View
171-Nitronaphthalene i0.28View
185-Nitroacenaphthene i0.97View
191,3-Dinitrobenzene-0.51View
201,3,5-Trinitrobenzene0.72View
214-Nitrotoluene-2.1View
222,3-Dinitrotoluene-1.26View
232,4-Dinitrotoluene-1.29View
242,5-Dinitrotoluene-0.63View
252,6-Dinitrotoluene-1.34View
263,4-Dinitrotoluene-1.3View
273,5-Dinitrotoluene-0.72View
282,3,4-Trinitrotoluene0.08View
292,3,5-Trinitrotoluene0.46View
302,3,6-Trinitrotoluene0.55View
312,4,5-Trinitrotoluene1.12View
322,4,6-Trinitrotoluene0.16View
333,4,5-Trinitrotoluene1.01View
341-Methyl-2-nitronaphthalene i0.08View
353-Methyl-2-nitronaphthalene i-0.7View
361,3-Dinitronaphthalene0.86View
371,5-Dinitronaphthalene0.91View
381,8-Dinitronaphthalene1.12View
392,4,5,7-Tetra-nitro-9-fluorenone2.46View
402-Nitropyrene2.87View
411,3,6,8-Tetranitropyrene3.18View
425-Nitroquinoline i-0.7View
436-Nitroquinoline i-1.05View
442-Nitrocarbazole-0.3View
453-Nitrocarbazole-1View
464-Nitrocarbazole-0.3View
479-Nitroanthracene0.26View
486-Nitrochrysene2.21View

Bibliography

  1. Gramatica, P.; Pilutti, P.; Papa, E. Approaches for externally validated QSAR modelling of Nitrated Polycyclic Aromatic Hydrocarbon mutagenicity. SAR and QSAR in Environmental Research 2007, 18, 169–178. http://dx.doi.org/10.1080/10629360601054388